Vitas-M small molecule compound
4-chloro-N-{[5-({2-[(4-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK119327
SMILES CCn1c(SCC(=O)Nc2ccc(cc2C)Cl)nnc1CNC(=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 C21H21Cl2N5O2S MW 478.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N5O2S/c1-3-28-18(11-24-20(30)14-4-6-15(22)7-5-14)26-27-21(28)31-12-19(29)25-17-9-8-16(23)10-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
VBLGECFFKARRHF-UHFFFAOYSA-NSynonyms
4CHLORON((5((2((4CHLORO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((5(2(4CHLORO2METHYLANILINO)2OXOETHYL)SULFANYL4ETHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)C)CNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC21H21Cl2N5O2Sc132818(112420(30)144615(22)7514)262721(28)311219(29)25179816(23)1013(17)2h410H31112H212H3(H2430)(H2529)
MFCD04128152
ZINC000009260715
ZINC09260715
ZINC9260715
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