Vitas-M small molecule compound
2-{[4-benzyl-5-(2,3-dimethyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Catalog ID
STK384641
SMILES COc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccccc1)c1ccc2c(c1)c(C)c([nH]2)C
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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 C28H27N5O2S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2S/c1-18-19(2)29-25-14-9-21(15-24(18)25)27-31-32-28(33(27)16-20-7-5-4-6-8-20)36-17-26(34)30-22-10-12-23(35-3)13-11-22/h4-15,29H,16-17H2,1-3H3,(H,30,34)InChIKey
IAVACPPWKFJDSF-UHFFFAOYSA-NSynonyms
2((4BENZYL5(23DIMETHYL1HINDOL5YL)124TRIAZOL3YL)SULFANYL)N(4METHOXYPHENYL)ACETAMIDE
2((4benzyl5(23dimethyl1Hindol5yl)4H124triazol3yl)sulfanyl)N(4methoxyphenyl)acetamide
2(5(23DIMETHYLINDOL5YL)4BENZYL(124TRIAZOL3YLTHIO))N(4METHOXYPHENYL)ACETAMIDE
CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3CC4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)OC)C
COc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccccc1)c1ccc2c(c1)c(C)c((nH)2)C
InChI=1SC28H27N5O2Sc11819(2)292514921(1524(18)25)27313228(33(27)16207546820)361726(34)3022101223(353)131122h41529H1617H213H3(H3034)
MFCD04966750
ZINC000002911373
ZINC02911373
ZINC2911373
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