Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK799886
SMILES COc1cc(cc(c1OC)OC)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=C1C(=O)c1cc2c(o1)cccc2)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 C31H25N3O7S2 MW 615.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N3O7S2/c1-38-22-14-19(15-23(39-2)28(22)40-3)25-24(26(35)21-13-18-11-7-8-12-20(18)41-21)27(36)29(37)34(25)30-32-33-31(43-30)42-16-17-9-5-4-6-10-17/h4-15,25,36H,16H2,1-3H3InChIKey
JGAOJIZMHHEHMJ-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5BENZYLSULFANYL134THIADIAZOL2YL)4HYDROXY2(345TRIMETHOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5(benzylsulfanyl)134thiadiazol2yl)3hydroxy5(345trimethoxyphenyl)15dihydro2Hpyrrol2one
COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC6=CC=CC=C6O5
InChI=1SC31H25N3O7S2c138221419(1523(392)28(22)403)2524(26(35)21131811781220(18)4121)27(36)29(37)34(25)30323331(4330)42161795461017h4152536H16H213H3
MFCD04147954
ZINC000008441241
ZINC000008441243
ZINC08441243
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