Vitas-M small molecule compound
4-[({[4-methyl-5-({[(4-methylphenyl)carbonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK143729
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nnc(n1C)CNC(=O)c1ccc(cc1)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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-13-3-5-14(6-4-13)19(28)22-11-17-24-25-21(26(17)2)31-12-18(27)23-16-9-7-15(8-10-16)20(29)30/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,27)(H,29,30)InChIKey
QUJWRSUBRWVROJ-UHFFFAOYSA-NSynonyms
4((((4METHYL5((((4METHYLPHENYL)CARBONYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
4((2((4METHYL5(((4METHYLBENZOYL)AMINO)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C(=O)O
InChI=1SC21H21N5O4Sc1133514(6413)19(28)221117242521(26(17)2)311218(27)23169715(81016)20(29)30h310H1112H212H3(H2228)(H2327)(H2930)
MFCD08678445
ZINC000013880326
ZINC13880326
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