Vitas-M small molecule compound
N-(4-acetylphenyl)-2-({6-cyano-8,8-dimethyl-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)acetamide
Catalog ID
STK596587
SMILES N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)Nc3ccc(cc3)C(=O)C)nnc2c2c1CC(C)(C)OC2
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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 C29H28N6O3S MW 540.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N6O3S/c1-17-5-9-21(10-6-17)32-26-23(14-30)22-13-29(3,4)38-15-24(22)27-33-34-28(35(26)27)39-16-25(37)31-20-11-7-19(8-12-20)18(2)36/h5-12,32H,13,15-16H2,1-4H3,(H,31,37)InChIKey
IQYHELUROOPAEP-UHFFFAOYSA-NSynonyms
900877-71-6900877716
CC1=CC=C(C=C1)NC2=C(C3=C(COC(C3)(C)C)C4=NN=C(N24)SCC(=O)NC5=CC=C(C=C5)C(=O)C)C#N
InChI=1SC29H28N6O3Sc1175921(10617)322623(1430)221329(34)381524(22)27333428(35(26)27)391625(37)312011719(81220)18(2)36h51232H131516H214H3(H3137)
MFCD06778260
N(4acetylphenyl)2((6cyano88dimethyl5((4methylphenyl)amino)710dihydro8Hpyrano(34c)(124)triazolo(43a)pyridin3yl)sulfanyl)acetamide
N(4acetylphenyl)2((6cyano88dimethyl5(ptolylamino)810dihydro7Hpyrano(34c)(124)triazolo(43a)pyridin3yl)thio)acetamide
ZINC000097956688
ZINC97956688
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