Vitas-M small molecule compound

2-{[5-(diphenylmethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide

Catalog ID
STK044429
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)C)nnc1C(c1ccccc1)c1ccccc1

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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 C27H26N4OS MW 454.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4OS/c1-3-18-31-26(25(21-10-6-4-7-11-21)22-12-8-5-9-13-22)29-30-27(31)33-19-24(32)28-23-16-14-20(2)15-17-23/h3-17,25H,1,18-19H2,2H3,(H,28,32)
InChIKey
QEXGOAJLZNFSSY-UHFFFAOYSA-N
Synonyms
525582-92-7
2((4allyl5benzhydryl4H124triazol3yl)thio)N(ptolyl)acetamide
2((5(DIPHENYLMETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(4METHYLPHENYL)ACETAMIDE
2((5BENZHYDRYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(4METHYLPHENYL)ACETAMIDE
2(5(DIPHENYLMETHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(4METHYLPHENYL)ACETAMIDE
525582927
C=CCn1c(SCC(=O)Nc2ccc(cc2)C)nnc1C(c1ccccc1)c1ccccc1
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI=1SC27H26N4OSc13183126(25(21106471121)22128591322)293027(31)331924(32)2823161420(2)151723h31725H11819H22H3(H2832)
MFCD03194946
STK044429
ZINC000008743455
ZINC08743455
ZINC8743455

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.