Vitas-M small molecule compound
3,4-dichloro-N-{[5-({2-[(2-methoxy-5-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK498226
SMILES COc1ccc(cc1NC(=O)CSc1nnc(n1C)CNC(=O)c1ccc(c(c1)Cl)Cl)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 C21H21Cl2N5O3S MW 494.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N5O3S/c1-12-4-7-17(31-3)16(8-12)25-19(29)11-32-21-27-26-18(28(21)2)10-24-20(30)13-5-6-14(22)15(23)9-13/h4-9H,10-11H2,1-3H3,(H,24,30)(H,25,29)InChIKey
QAJIPFNYKABQRE-UHFFFAOYSA-NSynonyms
34dichloroN((5((2((2methoxy5methylphenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)methyl)benzamide
34DICHLORON((5((2(2METHOXY5METHYLANILINO)2OXOETHYL)THIO)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DICHLORON((5(2(2METHOXY5METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC21H21Cl2N5O3Sc1124717(313)16(812)2519(29)113221272618(28(21)2)102420(30)135614(22)15(23)913h49H1011H213H3(H2430)(H2529)
MFCD04152817
ZINC000008399574
ZINC08399574
ZINC8399574
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