Vitas-M small molecule compound
methyl 2-chloro-5-[({[5-(4-methoxybenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK116295
SMILES COc1ccc(cc1)Cc1nnc(n1C)SCC(=O)Nc1ccc(c(c1)C(=O)OC)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 C21H21ClN4O4S MW 460.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O4S/c1-26-18(10-13-4-7-15(29-2)8-5-13)24-25-21(26)31-12-19(27)23-14-6-9-17(22)16(11-14)20(28)30-3/h4-9,11H,10,12H2,1-3H3,(H,23,27)InChIKey
RRHNXYFXHRBDCX-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)CC3=CC=C(C=C3)OC
InChI=1SC21H21ClN4O4Sc12618(10134715(292)8513)242521(26)311219(27)23146917(22)16(1114)20(28)303h4911H1012H213H3(H2327)
METHYL2CHLORO5((((5(4METHOXYBENZYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2CHLORO5((2((5((4METHOXYPHENYL)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04128257
ZINC000001111373
ZINC01111373
ZINC1111373
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