Vitas-M small molecule compound
methyl 4-[({[4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK125024
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccccc1C
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-13-6-4-5-7-16(13)18-22-23-20(24(18)2)28-12-17(25)21-15-10-8-14(9-11-15)19(26)27-3/h4-11H,12H2,1-3H3,(H,21,25)InChIKey
WRHXNHYSDZMSOV-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC20H20N4O3Sc113645716(13)18222320(24(18)2)281217(25)211510814(91115)19(26)273h411H12H213H3(H2125)
METHYL4((((4METHYL5(2METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2((4METHYL5(2METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4(2(4METHYL5(2METHYLPHENYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZOATE
MFCD02225870
ZINC000000869061
ZINC00869061
ZINC869061
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