Vitas-M small molecule compound
5-[4-(benzyloxy)-3-ethoxyphenyl]-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK904719
SMILES CCOc1cc(ccc1OCc1ccccc1)C1C(=C(C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2)O)C(=O)c1ccc2c(c1)CC(O2)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 C42H35N3O6S2 MW 741.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H35N3O6S2/c1-3-49-35-22-28(16-19-34(35)50-23-26-10-5-4-6-11-26)37-36(38(46)29-17-18-33-31(21-29)20-25(2)51-33)39(47)40(48)45(37)41-43-44-42(53-41)52-24-30-14-9-13-27-12-7-8-15-32(27)30/h4-19,21-22,25,37,47H,3,20,23-24H2,1-2H3InChIKey
DHPUARWSFKWTAH-UHFFFAOYSA-NSynonyms
5(4(benzyloxy)3ethoxyphenyl)3hydroxy4((2methyl23dihydro1benzofuran5yl)carbonyl)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)15dihydro2Hpyrrol2one
5(4(benzyloxy)3ethoxyphenyl)3hydroxy4(2methyl23dihydrobenzofuran5carbonyl)1(5((naphthalen1ylmethyl)thio)134thiadiazol2yl)1Hpyrrol2(5H)one
MFCD18076143
ZINC000097967688
ZINC000097967691
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