Vitas-M small molecule compound

2-[4-methyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide

Catalog ID
STK221728
SMILES O=C(NC1CCCCC1C)CSc1nnc(n1C)CC(=O)Nc1ccccc1C

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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 C21H29N5O2S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O2S/c1-14-8-4-6-10-16(14)22-19(27)12-18-24-25-21(26(18)3)29-13-20(28)23-17-11-7-5-9-15(17)2/h4,6,8,10,15,17H,5,7,9,11-13H2,1-3H3,(H,22,27)(H,23,28)
InChIKey
NOWACPMWPNFQHC-UHFFFAOYSA-N
Synonyms

2(4METHYL5((2((2METHYLCYCLOHEXYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
2(4METHYL5(2((2METHYLCYCLOHEXYL)AMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3C
InChI=1SC21H29N5O2Sc1148461016(14)2219(27)1218242521(26(18)3)291320(28)23171175915(17)2h468101517H5791113H213H3(H2227)(H2328)
MFCD07399212
ZINC000004816131
ZINC000004816139

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Available files

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