Vitas-M small molecule compound
2-[(cyanomethyl)sulfanyl]-N-(4-methoxyphenyl)-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK250842
SMILES COc1ccc(cc1)NC(=O)c1cnc2n(c1C)nc(n2)SCC#N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H14N6O2S MW 354.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N6O2S/c1-10-13(14(23)19-11-3-5-12(24-2)6-4-11)9-18-15-20-16(21-22(10)15)25-8-7-17/h3-6,9H,8H2,1-2H3,(H,19,23)InChIKey
BKZZPXOPFCNJTF-UHFFFAOYSA-NSynonyms
(2(CYANOMETHYLTHIO)7METHYL(8HYDRO124TRIAZOLO(15A)PYRIMIDIN6YL))N(4METHOXYPHENYL)CARBOXAMIDE
2((cyanomethyl)sulfanyl)N(4methoxyphenyl)7methyl(124)triazolo(15a)pyrimidine6carboxamide
2(CYANOMETHYLSULFANYL)N(4METHOXYPHENYL)7METHYL(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
CC1=C(C=NC2=NC(=NN12)SCC#N)C(=O)NC3=CC=C(C=C3)OC
InChI=1SC16H14N6O2Sc11013(14(23)19113512(242)6411)918152016(2122(10)15)258717h369H8H212H3(H1923)
MFCD08088533
ZINC000006764653
ZINC06764653
ZINC6764653
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