Vitas-M small molecule compound
2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxy-2-nitrophenyl)acetamide
Catalog ID
STK115273
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nnc(n1C)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 C18H16ClN5O4S MW 433.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O4S/c1-23-17(11-3-5-12(19)6-4-11)21-22-18(23)29-10-16(25)20-14-8-7-13(28-2)9-15(14)24(26)27/h3-9H,10H2,1-2H3,(H,20,25)InChIKey
PACUOGUXVUVEJF-UHFFFAOYSA-NSynonyms
2((5(4CHLOROPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)N(4METHOXY2NITROPHENYL)ACETAMIDE
2((5(4CHLOROPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(4METHOXY2NITROPHENYL)ACETAMIDE
2(5(4CHLOROPHENYL)4METHYL(124TRIAZOL3YLTHIO))N(4METHOXY2NITROPHENYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)(N+)(=O)(O))C3=CC=C(C=C3)Cl
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nnc(n1C)c1ccc(cc1)Cl
InChI=1SC18H16ClN5O4Sc12317(113512(19)6411)212218(23)291016(25)20148713(282)915(14)24(26)27h39H10H212H3(H2025)
MFCD02050928
ZINC000009057546
ZINC09057546
ZINC9057546
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