Organoheterocyclic compounds
Vitamin B12, 0.1% in Mannitol, ∽96%, MP Biomedicals™
CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.39 MDL Number: MFCD00151092 InChI Key: YUWVGNQGDAPKCX-BVWPOUIRNA-L Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-1-cyano-46-hydroxy-12-(hydroxymethyl)-5,6,17,23,28,31,31,36,38,41,42-undecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate SMILES: [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O
Thermo Scientific Chemicals Cyanocobalamin, 96%
CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.39 MDL Number: MFCD00151092 InChI Key: YUWVGNQGDAPKCX-BVWPOUIRNA-L Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O
6-Azathymine, 98%
CAS: 932-53-6 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.10 MDL Number: MFCD00006457,MFCD00127802 InChI Key: XZWMZFQOHTWGQE-UHFFFAOYSA-N Synonym: 6-azathymine,6-methyl-1,2,4-triazine-3,5 2h,4h-dione,5-methyl-6-azauracil,azathymine,usaf cb-28,1,2,4-triazine-3,5 2h,4h-dione, 6-methyl,6-methyl-1,2,4-triazine-3,5-diol,6-methyl-1,2,4-triazine-3,5-dione,unii-zwx58t58za,azathymine, 6 PubChem CID: 70269 SMILES: CC1=NNC(=O)NC1=O
6-Azauracil, 98%
CAS: 461-89-2 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00006456 InChI Key: SSPYSWLZOPCOLO-UHFFFAOYSA-N Synonym: 6-azauracil,1,2,4-triazine-3,5 2h,4h-dione,azauracil,1,2,4-triazine-3,5-diol,4 6-azauracil,as-triazine-3,5-diol,as-triazine-3,5 2h,4h-dione,1,2,4-triazine-3,5-dione,usaf cb-30,unii-i14twn70lr PubChem CID: 68037 ChEBI: CHEBI:53745 IUPAC Name: 2H-1,2,4-triazine-3,5-dione SMILES: O=C1NN=CC(=O)N1
Cyanuric fluoride, 98%
CAS: 675-14-9 Molecular Formula: C3F3N3 MDL Number: MFCD00014597 InChI Key: VMKJWLXVLHBJNK-UHFFFAOYSA-N Synonym: cyanuric fluoride,trifluorotriazine,cyanuric trifluoride,trifluoro-s-triazine,1,3,5-triazine, 2,4,6-trifluoro,2,4,6-trifluoro-s-triazine,s-triazine, 2,4,6-trifluoro,cyanuryl fluoride,unii-31kw4s5fbb,s-triazine, 2,4,6-trifluro PubChem CID: 12664
Trichloroisocyanuric acid, 90+%
CAS: 87-90-1 Molecular Formula: C3Cl3N3O3 Molecular Weight (g/mol): 232.40 MDL Number: MFCD00006553 InChI Key: YRIZYWQGELRKNT-UHFFFAOYSA-N Synonym: trichloroisocyanuric acid,symclosene,trichlorocyanuric acid,symclosen,isocyanuric chloride,fichlor 91,trichloro-s-triazinetrione,trichloroisocyanic acid,fi clor 91,chloreal PubChem CID: 6909 ChEBI: CHEBI:33015 SMILES: ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O
Tris(2,3-dibromopropyl) isocyanurate, 97%, Thermo Scientific Chemicals
CAS: 52434-90-9 Molecular Formula: C12H15Br6N3O3 Molecular Weight (g/mol): 728.694 MDL Number: MFCD00010290 InChI Key: NZUPFZNVGSWLQC-UHFFFAOYSA-N Synonym: tris 2,3-dibromopropyl isocyanurate,1,3,5-tris 2,3-dibromopropyl-1,3,5-triazinane-2,4,6-trione,hexahydro-1,3,5-tris 2,3-dibromopropyl-1,3,5-triazine-2,4,6-trione,1,3,5-triazine-2,4,6 1h,3h,5h-trione, 1,3,5-tris 2,3-dibromopropyl,1,3,5-tris 2,3-dibromopropyl-1,3,5-triazine-2,4,6 1h,3h,5h-trione,isocyanuric acid tris 2,3-dibromopropyl ester,1,3,5-tris 2,3-dibromopropyl-s-triazine-2,4,6-trione,acmc-1apwt,tri 2,3-dibromopropyl isocyanate PubChem CID: 103634 IUPAC Name: 1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione SMILES: C(C(CBr)Br)N1C(=O)N(C(=O)N(C1=O)CC(CBr)Br)CC(CBr)Br
3-Diethoxyphosphoryloxy-1,2,3-benzotriazin-4(3H)-one, 98%
CAS: 165534-43-0 Molecular Formula: C11H14N3O5P Molecular Weight (g/mol): 299.223 MDL Number: MFCD01236967 InChI Key: AJDPNPAGZMZOMN-UHFFFAOYSA-N Synonym: depbt,3-diethoxyphosphoryloxy-1,2,3-benzotriazin-4 3h-one,3-diethoxyphosphoryloxy-1,2,3-benzotrizin-4 3h-one,diethyl 4-oxobenzo d 1,2,3 triazin-3 4h-yl phosphate,diethyl 4-oxo-1,2,3-benzotriazin-3-yl phosphate,3-diethoxyphosphoryloxy-3h-benzo d 1,2,3 triazin-4-one,3-diethoxyphosphinyl oxy-1,2,3-benzotriazin-4 3h-one,3-diethoxyphosphoryl oxy-1,2,3-benzotriazin-4 3h-one,3-diethoxy-phosphoryloxy-3h-benzo d 1,2,3 triazin-4-one PubChem CID: 4293995 IUPAC Name: diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate SMILES: CCOP(=O)(OCC)ON1C(=O)C2=CC=CC=C2N=N1
3-Amino-1,2,4-triazine, 97%
CAS: 1120-99-6 Molecular Formula: C3H4N4 Molecular Weight (g/mol): 96.09 MDL Number: MFCD00006459 InChI Key: MJIWQHRXSLOUJN-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazine,as-triazine, 3-amino,3-amino-as-triazine,1,2,4-triazin-3-ylamine,1,2,4-triazine-3-ylamine,1,2,4 triazin-3-ylamine,zlchem 1277,1,2,4-triazine-3-amine,3-amino-1,2,4,-triazine PubChem CID: 70715 IUPAC Name: 1,2,4-triazin-3-amine SMILES: C1=CN=NC(=N1)N
5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine-4,4'-disulfonic acid disodium salt hydrate, 97+%
CAS: 1264198-47-1 Molecular Formula: C20H12N4Na2O6S2 Molecular Weight (g/mol): 514.44 MDL Number: MFCD00717621 InChI Key: DDIHLFCSEHAOJZ-UHFFFAOYSA-L Synonym: ferrozin,ferrozine,ferrozine disodium salt,unii-29j2ciw9pk,29j2ciw9pk,3-2-pyridyl-5,6-di 4-phenylsulfonic acid-1,2,4-triazine, disodium salt,4,4'-3-2-pyridyl-triazine-5,6-diyl dibenzenesulfonic acid disodium salt,4,4'-3-2-pyridinyl-1,2,4-triazine-5,6-diyl bis-benzenesulfonic acid, disodium salt,4,4'-3-2-pyridinyl-1,2,4-triazine-5,6-diyl bis-benzenesulfonic acid,disodium salt,benzenesulfonic acid, 4,4'-3-2-pyridinyl-1,2,4-triazine-5,6-diyl bis-, disodium salt PubChem CID: 34127 IUPAC Name: disodium 4-[3-(pyridin-2-yl)-5-(4-sulfonatophenyl)-1,2,4-triazin-6-yl]benzene-1-sulfonate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(C=C1)C1=NN=C(N=C1C1=CC=C(C=C1)S([O-])(=O)=O)C1=CC=CC=N1
2-Amino-1,3,5-triazine, 98%
CAS: 4122-04-7 Molecular Formula: C3H4N4 Molecular Weight (g/mol): 96.09 InChI Key: KCZIUKYAJJEIQG-UHFFFAOYSA-N
1,2,4-Triazin-3-amine, 97%, Thermo Scientific™
CAS: 1120-99-6 Molecular Formula: C3H4N4 Molecular Weight (g/mol): 96.093 InChI Key: MJIWQHRXSLOUJN-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazine,as-triazine, 3-amino,3-amino-as-triazine,1,2,4-triazin-3-ylamine,1,2,4-triazine-3-ylamine,1,2,4 triazin-3-ylamine,zlchem 1277,1,2,4-triazine-3-amine,3-amino-1,2,4,-triazine PubChem CID: 70715 IUPAC Name: 1,2,4-triazin-3-amine SMILES: C1=CN=NC(=N1)N
![2-([7-(acetylamino)-6-(benzyloxy)-2-phenylperhydropyrano[3,2-d][1,3]dioxin-8-yl]oxy)propanoic acid, Thermo Scientific™](https://assets.fishersci.com/TFS-Assets/CCG/Chemical-Structures/chemical-structure-cas-499104-69-7.jpg-250.jpg)
2-([7-(acetylamino)-6-(benzyloxy)-2-phenylperhydropyrano[3,2-d][1,3]dioxin-8-yl]oxy)propanoic acid, Thermo Scientific™
CAS: 499104-69-7 Molecular Formula: C25H29NO8 Molecular Weight (g/mol): 471.506 InChI Key: JPPMVSNCFXDOJX-UHFFFAOYSA-N Synonym: 2-7-acetylamino-6-benzyloxy-2-phenylperhydropyrano 3,2-d 1,3 dioxin-8-yl oxy propanoic acid,2r-2-4ar,6s,7r,8r,8as-7-acetamido-6-benzyloxy-2-phenylhexahydropyrano 3,2-d 1,3 dioxin-8-yl oxy propanoic acid,2-6-benzyloxy-7-acetamido-2-phenyl-hexahydro-2h-pyrano 3,2-d 1,3 dioxin-8-yl oxy propanoic acid,benzyl n-acetyl-4,6-o-benzylidenemuramic acid,2-7-acetamido-6-benzyloxy-2-phenylhexahydropyrano 3,2-d 1,3 dioxin-8-yl oxy propanoic acid,2-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano 3,2-d 1,3 dioxin-8-yl oxy propanoic acid PubChem CID: 3843768 IUPAC Name: 2-[(7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy]propanoic acid SMILES: CC(C(=O)O)OC1C(C(OC2C1OC(OC2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C
4,6-O-Isopropylidene-D-glucal, 97%, Thermo Scientific Chemicals
CAS: 51450-36-3 Molecular Formula: C9H14O4 Molecular Weight (g/mol): 186.207 MDL Number: MFCD22988998 InChI Key: GAQDIYMHBQNXLE-PRJMDXOYSA-N Synonym: 4,6-o-isopropylidene-d-glucal,4-o,6-o-isopropylidene-1,2-dideoxy-d-arabino-1-hexenopyranose,1,2-didehydro-1,2-dideoxy-4-o,6-o-isopropylidene-beta-d-glucopyranose,4ar,8r,8as-2,2-dimethyl-4h,4ah,8h,8ah-pyrano 3,2-d 1,3 dioxin-8-ol PubChem CID: 11052343 IUPAC Name: (4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol SMILES: CC1(OCC2C(O1)C(C=CO2)O)C
4-Morpholinoaniline, 97%, Thermo Scientific™
CAS: 2524-67-6 Molecular Formula: C10H14N2O Molecular Weight (g/mol): 178.235 MDL Number: MFCD00006169 InChI Key: PHNDZBFLOPIMSM-UHFFFAOYSA-N Synonym: 4-morpholinoaniline,4-morpholin-4-yl-phenylamine,4-morpholin-4-yl aniline,n-4-aminophenyl morpholine,p-morpholinoaniline,4-morpholinobenzenamine,4-4-morpholino aniline,benzenamine, 4-4-morpholinyl,4-morpholinyl aniline,4-4-aminophenyl-morpholine PubChem CID: 75655 IUPAC Name: 4-morpholin-4-ylaniline SMILES: C1COCCN1C2=CC=C(C=C2)N