Organoheterocyclic compounds
Manoalide, 98%, Thermo Scientific Chemicals
CAS: 75088-80-1 Molecular Formula: C25H36O5 Molecular Weight (g/mol): 416.558 MDL Number: MFCD00153826 InChI Key: FGJIDQWRRLDGDB-CPIXEKRISA-N Synonym: manoalide,unii-e1dk0157k9,2 5h-furanone, 4-2r,6r-3,6-dihydro-6-hydroxy-5-3e-4-methyl-6-2,6,6-trimethyl-1-cyclohexen-1-yl-3-hexenyl-2h-pyran-2-yl-5-hydroxy-, 5r,2 5h-furanone, 4-3,6-dihydro-6-hydroxy-5-4-methyl-6-2,6,6-trimethyl-1-cyclohexen-1-yl-3-hexenyl-2h-pyran-2-yl-5-hydroxy,5-hydroxy-4-6-hydroxy-5-e-4-methyl-6-2,6,6-trimethyl-cyclohex-1-enyl-hex-3-enyl-3,6-dihydro-2h-pyran-2-yl-5h-furan-2-one,2r-2-hydroxy-3-2r,6r-6-hydroxy-5-e-4-methyl-6-2,6,6-trimethyl-1-cyclohexenyl hex-3-enyl-3,6-dihydro-2h-pyran-2-yl-2h-furan-5-one,2r-2-hydroxy-3-2r,6r-6-hydroxy-5-e-4-methyl-6-2,6,6-trimethylcyclohexen-1-yl hex-3-enyl-3,6-dihydro-2h-pyran-2-yl-2h-furan-5-one,2r-3-2r,6r-5-e-4-methyl-6-2,6,6-trimethylcyclohexen-1-yl hex-3-enyl-6-oxidanyl-3,6-dihydro-2h-pyran-2-yl-2-oxidanyl-2h-furan-5-one,5r-5-hydroxy-4-2r,6r-6-hydroxy-5-3e-4-methyl-6-2,6,6-trimethylcyclohex-1-en-1-yl hex-3-en-1-yl-3,6-dihydro-2h-pyran-2-yl furan-2 5h-one,2 5h-furanone,4-2r,6r-3,6-dihydro-6-hydroxy-5-3e-4-methyl-6-2,6,6-trimethyl-1-cyclohexen-1-yl-3-hexen-1-yl-2h-pyran-2-yl-5-hydroxy-, 5r PubChem CID: 6437368 ChEBI: CHEBI:66666 IUPAC Name: (2R)-2-hydroxy-3-[(2R,6R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one SMILES: CC1=C(C(CCC1)(C)C)CCC(=CCCC2=CCC(OC2O)C3=CC(=O)OC3O)C
7-(2-Chloroethyl)theophylline, 97%, Thermo Scientific Chemicals
CAS: 5878-61-5 Molecular Formula: C9H11ClN4O2 Molecular Weight (g/mol): 242.663 MDL Number: MFCD00005760 InChI Key: QCIARNIKNKKHFH-UHFFFAOYSA-N Synonym: 7-2-chloroethyl theophylline,benaphyllin,eupnophile,7-chloroethyl theophylline,theophylline, 7-2-chloroethyl,beta-chloroethyltheophylline,unii-y7202un6b7,7-beta-chlorethyl theophylline,7-chloroethyltheophylline,1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl PubChem CID: 1882 IUPAC Name: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
Coelenterazine, native, Aequorea sp., Thermo Scientific Chemicals
CAS: 55779-48-1 Molecular Formula: C26H21N3O3 Molecular Weight (g/mol): 423.472 MDL Number: MFCD00467176 InChI Key: YHIPILPTUVMWQT-UHFFFAOYSA-N Synonym: coelenterazine,oplophorus luciferin,unii-3o1cb88rrd,clzn,coelenterate luciferin,coelenterazine, native,3o1cb88rrd,8-benzyl-2-4-hydroxybenzyl-6-4-hydroxyphenyl imidazo 1,2-a pyrazin-3 7h-one,2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazo 1,2-a pyrazin-3-7h-one,3,2-dihydro-2-p-hydroxybenzyl-6-p-hydroxyphenyl-8-benzylimidazolo 1,2-a pyrazin-3-one PubChem CID: 2830 ChEBI: CHEBI:2311 IUPAC Name: 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-7H-imidazo[1,2-a]pyrazin-3-one SMILES: C1=CC=C(C=C1)CC2=C3N=C(C(=O)N3C=C(N2)C4=CC=C(C=C4)O)CC5=CC=C(C=C5)O
Dihydroergotamine methanesulfonate
CAS: 6190-39-2 Molecular Formula: C34H41N5O8S Molecular Weight (g/mol): 679.79 MDL Number: MFCD00058615 InChI Key: ADYPXRFPBQGGAH-UMYZUSPBSA-N Synonym: dihydroergotamine mesylate,dihydroergotamine methanesulfonate salt,dihydroergotoxine,prestwick_746,dihydroergotamine methanesulfonate salt, powder,dihydroergotamine mesilate, european pharmacopoeia ep reference standard,dihydroergotamine for peak identification, european pharmacopoeia ep reference standard,dihydroergotamine mesylate, united states pharmacopeia usp reference standard,4r,7r-n-1s,2s,4r,7s-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo 7.3.0.0^ 2,6 dodecan-4-yl-6-methyl-6,11-diazatetracyclo 7.6.1.0^ 2,7 .0^ 12,16 hexadeca-1 15 ,9,12 16 ,13-tetraene-4-carboxamide; methanesulfonic acid,6ar,9r-n-2r,5s,10as,10bs-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8h-oxazolo 3,2-a pyrrolo 2,1-c pyrazin-2-yl-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo 4,3-fg quinoline-9-carboxamide methanesulfonate PubChem CID: 6420006 IUPAC Name: (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid SMILES: CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O
Ketoconazole, 2mg/mL in methanol, sterile-filtered, Thermo Scientific™
CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 534.452 MDL Number: MFCD00058579 InChI Key: XMAYWYJOQHXEEK-SIULDFEJSA-N Synonym: ketoconazole PubChem CID: 76973198 IUPAC Name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
Imidazole, Molecular Biology Grade, 99+%, Thermo Scientific Chemicals
CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 SMILES: N1C=CN=C1
1-(trans-Cinnamoyl)imidazole, 98%, Thermo Scientific Chemicals
CAS: 1138-15-4 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.225 MDL Number: MFCD00005288 InChI Key: XVGXMXZUJNAGFZ-VOTSOKGWSA-N Synonym: n-trans-cinnamoylimidazole,trans-cinnamoylimidazole,imidazole, 1-cinnamoyl-, e,imidazole, 1-cinnamoyl-, trans,imidazole, trans,1-trans-cinnamoyl imidazole,imidazole, e,e-1-1h-imidazol-1-yl-3-phenylprop-2-en-1-one,1h-imidazole, e,2e-1-imidazolyl-3-phenylprop-2-en-1-one PubChem CID: 5357650 IUPAC Name: (E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2
2-Mercaptothiazoline, 98+%
CAS: 96-53-7 Molecular Formula: C3H5NS2 Molecular Weight (g/mol): 119.2 MDL Number: MFCD00126013 InChI Key: WGJCBBASTRWVJL-UHFFFAOYSA-N Synonym: 2-mercaptothiazoline,2-thiazolidinethione,2-thiazoline-2-thiol,thiazolidine-2-thione,metabasal,thyroidan,2-mercapto-2-thiazoline,mercaptothiazoline,2-thiothiazolidone,2-thiazolidenethione PubChem CID: 2723699 IUPAC Name: 1,3-thiazolidine-2-thione SMILES: C1CSC(=S)N1
5-(Hydroxymethyl)uracil, 98%
CAS: 4433-40-3 Molecular Formula: C5H6N2O3 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00056024 InChI Key: JDBGXEHEIRGOBU-UHFFFAOYSA-N Synonym: 5-hydroxymethyluracil,5-hydroxymethyl uracil,5-hydroxymethyl pyrimidine-2,4 1h,3h-dione,5-oxymethyluracil,4-methyl-5-oxyuracil,uracil, 5-hydroxymethyl,2,4 1h,3h-pyrimidinedione, 5-hydroxymethyl,thymine, alpha-hydroxy,5-hydroxymethyl-2,4 1h,3h-pyrimidinedione PubChem CID: 78168 ChEBI: CHEBI:16964 IUPAC Name: 5-(hydroxymethyl)-1H-pyrimidine-2,4-dione SMILES: OCC1=CNC(=O)NC1=O
5-Methyl-3-phenylisoxazole-4-carboxylic acid, 99%
CAS: 1136-45-4 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.197 MDL Number: MFCD00003153 InChI Key: PENHKTNQUJMHIR-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarboxylic acid,3-phenyl-5-methylisoxazol-4-carbonsaeure,3-phenyl-5-methylisoxazole-4-carboxylic acid,isoxazole-4-carboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-isoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylicacid,3-phenyl-5-methylisoxazol-4-carbonsaeure german,5-methyl-3-phenyl-4-isooxazolic acid PubChem CID: 14343 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O
4-Phenylurazole, 98+%
CAS: 15988-11-1 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.163 MDL Number: MFCD00005226 InChI Key: GOSUFRDROXZXLN-UHFFFAOYSA-N Synonym: 4-phenylurazole,urazole, 4-phenyl,1,2,4-triazolidine-3,5-dione, 4-phenyl,bicarbamimide, n-phenyl,4-phenyl urazole,4-phenylurazol,4-phenyl-urazole,acmc-1c52y,ksc297q5n PubChem CID: 85229 IUPAC Name: 4-phenyl-1,2,4-triazolidine-3,5-dione SMILES: C1=CC=C(C=C1)N2C(=O)NNC2=O
Thiamine Mononitrate, USP, 98-102%, Spectrum™ Chemical
CAS: 532-43-4 Molecular Formula: C12H17N5O4S Molecular Weight (g/mol): 327.36 MDL Number: MFCD00036330 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-3H-1λ4,3-thiazol-1-ylium nitrate SMILES: [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N
