Vitas-M small molecule compound
4-methoxy-N-{[4-methyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK118271
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1C)SCC(=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 C21H29N5O3S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O3S/c1-14-6-4-5-7-17(14)23-19(27)13-30-21-25-24-18(26(21)2)12-22-20(28)15-8-10-16(29-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,22,28)(H,23,27)InChIKey
DLZAUXADFWDGRL-UHFFFAOYSA-NSynonyms
4METHOXYN((4METHYL5((2((2METHYLCYCLOHEXYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4METHOXYN((4METHYL5(2((2METHYLCYCLOHEXYL)AMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)OC
InChI=1SC21H29N5O3Sc114645717(14)2319(27)133021252418(26(21)2)122220(28)1581016(293)11915h8111417H471213H213H3(H2228)(H2327)
MFCD04128637
ZINC000000633764
ZINC000008442029
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