Vitas-M small molecule compound
N-(2-chloro-4-methylphenyl)-5-methyl-1-(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129697
SMILES CSc1cccc(c1)NC(=O)Cn1nnc(c1C)C(=O)Nc1ccc(cc1Cl)C
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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 C20H20ClN5O2S MW 429.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN5O2S/c1-12-7-8-17(16(21)9-12)23-20(28)19-13(2)26(25-24-19)11-18(27)22-14-5-4-6-15(10-14)29-3/h4-10H,11H2,1-3H3,(H,22,27)(H,23,28)InChIKey
GXOJIHVOTHCPTA-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=CC=C3)SC)C)Cl
InChI=1SC20H20ClN5O2Sc1127817(16(21)912)2320(28)1913(2)26(252419)1118(27)221454615(1014)293h410H11H213H3(H2227)(H2328)
MFCD20747651
N(2chloro4methylphenyl)5methyl1(2((3(methylsulfanyl)phenyl)amino)2oxoethyl)1H123triazole4carboxamide
N(2chloro4methylphenyl)5methyl1(2(3methylsulfanylanilino)2oxoethyl)triazole4carboxamide
ZINC000067322666
ZINC67322666
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