Vitas-M small molecule compound
methyl 3-({[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4-chlorobenzoate
Catalog ID
STL415710
SMILES COC(=O)c1ccc(c(c1)NC(=O)CSc1nnc(n1CC)Cc1ccccc1)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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-3-26-18(11-14-7-5-4-6-8-14)24-25-21(26)30-13-19(27)23-17-12-15(20(28)29-2)9-10-16(17)22/h4-10,12H,3,11,13H2,1-2H3,(H,23,27)InChIKey
JDJWGXXRQBIOKI-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)CC3=CC=CC=C3
InChI=1SC21H21ClN4O3Sc132618(11147546814)242521(26)301319(27)23171215(20(28)292)91016(17)22h41012H31113H212H3(H2327)
methyl3((((5benzyl4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)4chlorobenzoate
METHYL3((2((5BENZYL4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)4CHLOROBENZOATE
MFCD05842131
ZINC000001066454
ZINC01066454
ZINC1066454
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