Organoheterocyclic compounds
Allopurinol, MP Biomedicals
CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12
2-n-Butylthiophene, 98+%
CAS: 1455-20-5 Molecular Formula: C8H12S Molecular Weight (g/mol): 140.244 MDL Number: MFCD00022534 InChI Key: MNDZHERKKXUTOE-UHFFFAOYSA-N Synonym: 2-n-butylthiophene,thiophene, 2-butyl,2-n-butyl thiophene,ccris 6900,2-butyl-thiophene,thiophene, butyl,acmc-20c3ak PubChem CID: 73818 IUPAC Name: 2-butylthiophene SMILES: CCCCC1=CC=CS1
Methyl isonicotinate, 98%
CAS: 9-8-2459 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006427 InChI Key: OLXYLDUSSBULGU-UHFFFAOYSA-N SMILES: COC(=O)C1=CC=NC=C1
N-Boc-1H-pyrazole-1-carboxamidine, 98+%
CAS: 152120-61-1 Molecular Formula: C9H14N4O2 Molecular Weight (g/mol): 210.237 MDL Number: MFCD00216663 InChI Key: IGSFMHYSWZUENI-UHFFFAOYSA-N Synonym: n-boc-1-guanylpyrazole,n-boc-1h-pyrazole-1-carboxamidine,n-boc-pyrazole-1-carboxamidine,n-tert-butoxycarbonyl-1h-pyrazole-1-carboxamidine,tert-butyl 1e-amino 1h-pyrazol-1-yl methylene carbamate,n-tert-butoxycarbonyl-1 h-pyrazole-1-carboxamidine,h-pyrazole-1-carboxamidine hcl,1h-pyrazole-n-t-butyloxycarbonyl-1-carboxamidine,tert-butoxy-n-iminopyrazolylmethyl carboxamide,tert-butyl imino 1h-pyrazol-1-yl methylcarbamate PubChem CID: 9605068 IUPAC Name: tert-butyl (NE)-N-[amino(pyrazol-1-yl)methylidene]carbamate SMILES: CC(C)(C)OC(=O)N=C(N)N1C=CC=N1
5-Hydroxyindole-3-acetic acid, 98%
CAS: 54-16-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD00005639 InChI Key: DUUGKQCEGZLZNO-UHFFFAOYSA-N Synonym: 5-hydroxyindole-3-acetic acid,5-hiaa,2-5-hydroxy-1h-indol-3-yl acetic acid,5-hydroxyindoleacetic acid,5-hydroxyheteroauxin,5-hydroxy-1h-indol-3-yl acetic acid,5-oxyindoleacetic acid,hydroxyindoleacetic acid,5-hydroxy-iaa,5-hydroxyindol-3-ylacetic acid PubChem CID: 1826 ChEBI: CHEBI:27823 IUPAC Name: 2-(5-hydroxy-1H-indol-3-yl)acetic acid SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O
3,4-Methylenedioxyacetophenone, 98%
CAS: 3162-29-6 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00005831 InChI Key: BMHMKWXYXFBWMI-UHFFFAOYSA-N Synonym: 3',4'-methylenedioxy acetophenone,1-benzo d 1,3 dioxol-5-yl ethanone,5-acetyl-1,3-benzodioxole,3,4-methylenedioxyacetophenone,3,4-methylenedioxy acetophenone,3',4'-methylenedioxyacetophenone,1-1,3-benzodioxol-5-yl ethanone,acetopiperone,1-1,3-benzodioxol-5-yl ethan-1-one,ethanone, 1-1,3-benzodioxol-5-yl PubChem CID: 76622 IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)OCO2
3,4-(Methylenedioxy)aniline, 97%
CAS: 14268-66-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00005832 InChI Key: XGNXYCFREOZBOL-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy aniline,benzo d 1,3 dioxol-5-amine,5-amino-1,3-benzodioxole,3,4-methylenedioxyaniline,4-amino-1,2-methylenedioxybenzene,5-aminobenzodioxole,methylenedioxyaniline,2h-1,3-benzodioxol-5-amine,1-amino-3,4-methylenedioxybenzene,1-amino-3,4-dimethylenedioxybenzene PubChem CID: 84310 IUPAC Name: 1,3-benzodioxol-5-amine SMILES: C1OC2=C(O1)C=C(C=C2)N
2-Thiophenemethanol, 99+%
CAS: 636-72-6 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00005454 InChI Key: ZPHGMBGIFODUMF-UHFFFAOYSA-N Synonym: 2-thiophenemethanol,thiophene-2-methanol,2-thienylmethanol,2-hydroxymethylthiophene,2-thenyl alcohol,2-hydroxymethyl thiophene,thenyl alcohol,2-thiophenecarbinol,thien-2-yl methanol,thiophen-2-yl methanol PubChem CID: 69467 SMILES: OCC1=CC=CS1
1-Boc-D-nipecotic acid, 97%
CAS: 163438-09-3 Molecular Formula: C11H18NO4 Molecular Weight (g/mol): 228.27 MDL Number: MFCD02179173 InChI Key: NXILIHONWRXHFA-MRVPVSSYSA-M Synonym: r-boc-nipecotic acid,r-1-tert-butoxycarbonyl piperidine-3-carboxylic acid,r-n-boc-piperidine-3-carboxylic acid,boc-d-nip-oh,r-1-boc-piperidine-3-carboxylic acid,r-1-boc-nipecotic acid,d-1-boc-nipecotic acid,n-boc-r-nipecotic acid,r-boc-nip,r-boc-nip-oh PubChem CID: 643516 SMILES: CC(C)(C)OC(=O)N1CCC[C@H](C1)C([O-])=O
4,5-Dimethylthiophene-2-carboxaldehyde, 97%
CAS: 5928-48-3 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.2 MDL Number: MFCD02093897 InChI Key: QSBBXKVGLJSGAJ-UHFFFAOYSA-N Synonym: 4,5-dimethylthiophene-2-carboxaldehyde,2-thiophenecarboxaldehyde, 4,5-dimethyl,acmc-20amru,pubchem20559,2,3-dimethyl-5-formylthiophene,2-thiophenecarboxaldehyde,4,5-dimethyl,4,5-dimethyl-2-thiophene carboxaldehyde PubChem CID: 2733926 IUPAC Name: 4,5-dimethylthiophene-2-carbaldehyde SMILES: CC1=C(SC(=C1)C=O)C
Zinc phthalocyanine, 95%
CAS: 14320-04-8 Molecular Formula: C32H16N8Zn Molecular Weight (g/mol): 577.916 MDL Number: MFCD00041955 InChI Key: PODBBOVVOGJETB-UHFFFAOYSA-N Synonym: zinc phthalocyanine,znpc,phthalocyanine zinc,zinc ii phthalocyanine,phthalocyanine, zinc,zinc phthalocyanine, dye content 97 % PubChem CID: 2735172 ChEBI: CHEBI:51218 SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Zn+2]
6-Hydroxypyridine-3-boronic acid pinacol ester, 97%
CAS: 1054483-78-1 Molecular Formula: C11H16BNO3 Molecular Weight (g/mol): 221.06 MDL Number: MFCD06795671 InChI Key: WAUWXCUPDOXYKS-UHFFFAOYSA-N Synonym: 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-ol,6-hydroxypyridine-3-boronic acid pinacol ester,2-hydroxypyridine-5-boronic acid pinacol ester,2-hydroxypyridine-5-boronic acid, pinacol ester,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-ol,6-hydroxypyridine-3-boronic acid, pinacol ester,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2 1h-one,2-hydroxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,amtb145,pyridin-2-ol-5-boronic acid pinacol ester PubChem CID: 17750253 IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one SMILES: CC1(C)OB(OC1(C)C)C1=CN=C(O)C=C1
2,4-Dibromothiazole, 97%
CAS: 4175-77-3 Molecular Formula: C3HBr2NS Molecular Weight (g/mol): 242.916 MDL Number: MFCD01318994 InChI Key: MKEJZKKVVUZXIS-UHFFFAOYSA-N Synonym: 2,4-dibromothiazole,2,4-dibromo thiazole,dibromothiazole,2.4-dibromothiazole,soxlllqacqdfwmijp@,2,4-dibromo-thiazole,acmc-209jll,ksc235o5d,2 pound not4-dibromo-thiazole PubChem CID: 2763297 IUPAC Name: 2,4-dibromo-1,3-thiazole SMILES: C1=C(N=C(S1)Br)Br
Thermo Scientific Chemicals Irbesartan
CAS: 138402-11-6 Molecular Formula: C25H28N6O Molecular Weight (g/mol): 428.54 InChI Key: YOSHYTLCDANDAN-UHFFFAOYSA-N IUPAC Name: 2-butyl-3-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
4-Pyridineacetonitrile, ≥97%, Thermo Scientific Chemicals
CAS: 13121-99-8 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD03412601 InChI Key: BMVSAKPRNWZCPG-UHFFFAOYSA-N Synonym: pyridin-4-yl-acetonitrile,2-pyridin-4-yl acetonitrile,4-pyridylacetonitrile,4-pyridineacetonitrile,pyridin-4-ylacetonitrile,pyridine-4-acetonitrile,rarechem ak ml 0204,2-4-pyridyl acetonitrile,4-pyridylacetonitrilehydrochloride,4-cyanomethyl-pyridine PubChem CID: 4112085 IUPAC Name: 2-pyridin-4-ylacetonitrile SMILES: N#CCC1=CC=NC=C1