Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800312
SMILES CCCCCOc1ccc(cc1OC)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 C34H31N3O6S2 MW 641.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N3O6S2/c1-3-4-10-17-42-25-16-15-23(19-26(25)41-2)29-28(30(38)27-18-22-13-8-9-14-24(22)43-27)31(39)32(40)37(29)33-35-36-34(45-33)44-20-21-11-6-5-7-12-21/h5-9,11-16,18-19,29,39H,3-4,10,17,20H2,1-2H3InChIKey
XMHVTWLLKTVENA-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)1(5BENZYLSULFANYL134THIADIAZOL2YL)4HYDROXY2(3METHOXY4PENTOXYPHENYL)2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)1(5(benzylsulfanyl)134thiadiazol2yl)3hydroxy5(3methoxy4(pentyloxy)phenyl)15dihydro2Hpyrrol2one
CCCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC6=CC=CC=C6O5)OC
InChI=1SC34H31N3O6S2c13410174225161523(1926(25)412)2928(30(38)27182213891424(22)4327)31(39)32(40)37(29)33353634(4533)442021116571221h59111618192939H34101720H212H3
MFCD04147950
ZINC000008441219
ZINC000008441222
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