Vitas-M small molecule compound
N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-4-methylbenzamide
Catalog ID
STK143719
SMILES O=C(NC1CCCCC1)CSc1nnc(n1C)CNC(=O)c1ccc(cc1)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 C20H27N5O2S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O2S/c1-14-8-10-15(11-9-14)19(27)21-12-17-23-24-20(25(17)2)28-13-18(26)22-16-6-4-3-5-7-16/h8-11,16H,3-7,12-13H2,1-2H3,(H,21,27)(H,22,26)InChIKey
HGDVBIABNJTHTE-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3CCCCC3
InChI=1SC20H27N5O2Sc11481015(11914)19(27)211217232420(25(17)2)281318(26)22166435716h81116H371213H212H3(H2127)(H2226)
MFCD08678442
N((5((2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)4METHYLBENZAMIDE
N((5(2(CYCLOHEXYLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)4METHYLBENZAMIDE
ZINC000006204305
ZINC06204305
ZINC6204305
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