Vitas-M small molecule compound
methyl 5-[({[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate
Catalog ID
STL365034
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(n1C)c1cc2c(o1)cccc2
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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 C21H17ClN4O4S MW 456.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O4S/c1-26-19(17-9-12-5-3-4-6-16(12)30-17)24-25-21(26)31-11-18(27)23-13-7-8-15(22)14(10-13)20(28)29-2/h3-10H,11H2,1-2H3,(H,23,27)InChIKey
KYDUIJZFHJGAEM-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)C3=CC4=CC=CC=C4O3
InChI=1SC21H17ClN4O4Sc12619(17912534616(12)3017)242521(26)311118(27)23137815(22)14(1013)20(28)292h310H11H212H3(H2327)
methyl5((((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)acetyl)amino)2chlorobenzoate
methyl5((2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)acetyl)amino)2chlorobenzoate
MFCD09216112
ZINC000010675094
ZINC10675094
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