Vitas-M small molecule compound
4-chloro-N-{[4-methyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK221726
SMILES O=C(NC1CCCCC1C)CSc1nnc(n1C)CNC(=O)c1ccc(cc1)Cl
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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 C20H26ClN5O2S MW 435.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26ClN5O2S/c1-13-5-3-4-6-16(13)23-18(27)12-29-20-25-24-17(26(20)2)11-22-19(28)14-7-9-15(21)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,22,28)(H,23,27)InChIKey
GYXHEQORDHRZFT-UHFFFAOYSA-NSynonyms
4CHLORON((4METHYL5((2((2METHYLCYCLOHEXYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((4METHYL5(2((2METHYLCYCLOHEXYL)AMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1CCCCC1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC20H26ClN5O2Sc113534616(13)2318(27)122920252417(26(20)2)112219(28)147915(21)10814h7101316H361112H212H3(H2228)(H2327)
MFCD07399055
ZINC000009263736
ZINC000009263739
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