Vitas-M small molecule compound
2-{[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxy-2-nitrophenyl)acetamide
Catalog ID
STK115627
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nnc(n1CC)c1ccc(cc1Cl)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 C19H17Cl2N5O4S MW 482.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17Cl2N5O4S/c1-3-25-18(13-6-4-11(20)8-14(13)21)23-24-19(25)31-10-17(27)22-15-7-5-12(30-2)9-16(15)26(28)29/h4-9H,3,10H2,1-2H3,(H,22,27)InChIKey
GWBVLTYYEWECPF-UHFFFAOYSA-NSynonyms
2((5(24DICHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N(4METHOXY2NITROPHENYL)ACETAMIDE
2((5(24DICHLOROPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N(4METHOXY2NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)(N+)(=O)(O))C3=C(C=C(C=C3)Cl)Cl
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nnc(n1CC)c1ccc(cc1Cl)Cl
InChI=1SC19H17Cl2N5O4Sc132518(136411(20)814(13)21)232419(25)311017(27)22157512(302)916(15)26(28)29h49H310H212H3(H2227)
MFCD03997668
ZINC000009848746
ZINC09848746
ZINC9848746
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