Vitas-M small molecule compound
2-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide
Catalog ID
STK218761
SMILES O=C(NC1CCCCC1)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 C20H27N5O2S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O2S/c1-14-8-6-7-11-16(14)22-18(26)12-17-23-24-20(25(17)2)28-13-19(27)21-15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12-13H2,1-2H3,(H,21,27)(H,22,26)InChIKey
HQPKUCPWEXCYDN-UHFFFAOYSA-NSynonyms
2(5((2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
2(5(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
2(5CYCLOHEXYLCARBAMOYLMETHYLSULFANYL4METHYL4H(124)TRIAZOL3YL)NOTOLYLACETAMIDE
CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)NC3CCCCC3
InChI=1SC20H27N5O2Sc1148671116(14)2218(26)1217232420(25(17)2)281319(27)211594351015h681115H359101213H212H3(H2127)(H2226)
MFCD07399213
ZINC000006674770
ZINC06674770
ZINC6674770
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