Vitas-M small molecule compound
3-chloro-N-{[5-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK140116
SMILES CCc1ccccc1NC(=O)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 C21H22ClN5O2S MW 443.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O2S/c1-3-14-7-4-5-10-17(14)24-19(28)13-30-21-26-25-18(27(21)2)12-23-20(29)15-8-6-9-16(22)11-15/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,28)InChIKey
XHZBMLBQWCQDKX-UHFFFAOYSA-NSynonyms
3CHLORON((5((2((2ETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
3CHLORON((5(2(2ETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=CC=C3)Cl
InChI=1SC21H22ClN5O2Sc13147451017(14)2419(28)133021262518(27(21)2)122320(29)1586916(22)1115h411H31213H212H3(H2329)(H2428)
MFCD04215012
ZINC000001111642
ZINC01111642
ZINC1111642
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