Vitas-M small molecule compound
methyl 4-[({[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK594838
SMILES COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)C(=O)OC
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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 C25H21ClN4O4S MW 508.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O4S/c1-33-21-5-3-4-17(14-21)23-28-29-25(30(23)20-12-8-18(26)9-13-20)35-15-22(31)27-19-10-6-16(7-11-19)24(32)34-2/h3-14H,15H2,1-2H3,(H,27,31)InChIKey
GVGPPIWYXRYEPF-UHFFFAOYSA-NSynonyms
861116-33-8861116338
COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC=C(C=C4)C(=O)OC
InChI=1SC25H21ClN4O4Sc1332153417(1421)23282925(30(23)2012818(26)91320)351522(31)271910616(71119)24(32)342h314H15H212H3(H2731)
methyl4((((4(4chlorophenyl)5(3methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((4(4CHLOROPHENYL)5(3METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2((4(4CHLOROPHENYL)5(3METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((4(4chlorophenyl)5(3methoxyphenyl)4H124triazol3yl)thio)acetamido)benzoate
METHYL4(2(4(4CHLOROPHENYL)5(3METHOXYPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD05682889
ZINC000009307499
ZINC09307499
ZINC9307499
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.