Vitas-M small molecule compound
5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK906530
SMILES CCCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=C1C(=O)c1ccc2c(c1)CC(O2)C)O
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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 C37H39N3O6S2 MW 685.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39N3O6S2/c1-5-7-8-17-45-29-16-13-25(20-30(29)44-6-2)32-31(33(41)26-14-15-28-27(19-26)18-23(4)46-28)34(42)35(43)40(32)36-38-39-37(48-36)47-21-24-11-9-22(3)10-12-24/h9-16,19-20,23,32,42H,5-8,17-18,21H2,1-4H3InChIKey
KBNPZYBIQRYOMH-UHFFFAOYSA-NSynonyms
5(3ethoxy4(pentyloxy)phenyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)4((2methyl23dihydro1benzofuran5yl)carbonyl)15dihydro2Hpyrrol2one
5(3ethoxy4(pentyloxy)phenyl)3hydroxy4(2methyl23dihydrobenzofuran5carbonyl)1(5((4methylbenzyl)thio)134thiadiazol2yl)1Hpyrrol2(5H)one
MFCD18076346
ZINC000097970446
ZINC000097970449
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