Vitas-M small molecule compound
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK904906
SMILES C=CCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2)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 C34H31N3O6S2 MW 641.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N3O6S2/c1-4-15-42-26-14-11-22(18-27(26)41-5-2)29-28(30(38)23-12-13-25-24(17-23)16-20(3)43-25)31(39)32(40)37(29)33-35-36-34(45-33)44-19-21-9-7-6-8-10-21/h4,6-14,17-18,20,29,39H,1,5,15-16,19H2,2-3H3InChIKey
DISQCVSQOMEVOF-UHFFFAOYSA-NSynonyms
1(5(benzylsulfanyl)134thiadiazol2yl)5(3ethoxy4(prop2en1yloxy)phenyl)3hydroxy4((2methyl23dihydro1benzofuran5yl)carbonyl)15dihydro2Hpyrrol2one
5(4(allyloxy)3ethoxyphenyl)1(5(benzylthio)134thiadiazol2yl)3hydroxy4(2methyl23dihydrobenzofuran5carbonyl)1Hpyrrol2(5H)one
MFCD18076179
ZINC000097969772
ZINC000097969775
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