Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-5-(4-butoxyphenyl)-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800318
SMILES CCCCOc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)C)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 C33H29N3O5S2 MW 611.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N3O5S2/c1-3-4-17-40-24-15-13-22(14-16-24)28-27(29(37)26-18-23-7-5-6-8-25(23)41-26)30(38)31(39)36(28)32-34-35-33(43-32)42-19-21-11-9-20(2)10-12-21/h5-16,18,28,38H,3-4,17,19H2,1-2H3InChIKey
YCVDMMBWNYISBV-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)2(4BUTOXYPHENYL)4HYDROXY1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)5(4butoxyphenyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)15dihydro2Hpyrrol2one
CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)C)O)C(=O)C5=CC6=CC=CC=C6O5
InChI=1SC33H29N3O5S2c134174024151322(141624)2827(29(37)261823756825(23)4126)30(38)31(39)36(28)32343533(4332)42192111920(2)101221h516182838H341719H212H3
MFCD06279949
ZINC000098046525
ZINC000098046526
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