Vitas-M small molecule compound
3-chloro-N-{[5-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK140080
SMILES O=C(Nc1ccc(c(c1)Cl)C)CSc1nnc(n1C)CNC(=O)c1cccc(c1)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 C20H19Cl2N5O2S MW 464.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl2N5O2S/c1-12-6-7-15(9-16(12)22)24-18(28)11-30-20-26-25-17(27(20)2)10-23-19(29)13-4-3-5-14(21)8-13/h3-9H,10-11H2,1-2H3,(H,23,29)(H,24,28)InChIKey
OHARNWXECZIHOC-UHFFFAOYSA-NSynonyms
3CHLORON((5((2((3CHLORO4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
3CHLORON((5(2(3CHLORO4METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=CC=C3)Cl)Cl
InChI=1SC20H19Cl2N5O2Sc1126715(916(12)22)2418(28)113020262517(27(20)2)102319(29)1343514(21)813h39H1011H212H3(H2329)(H2428)
MFCD04214988
ZINC000001111607
ZINC01111607
ZINC1111607
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