Vitas-M small molecule compound
4-(1-benzofuran-2-ylcarbonyl)-5-(4-ethoxy-3-methoxyphenyl)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK800333
SMILES CCOc1ccc(cc1OC)C1N(c2nnc(s2)SCc2ccccc2F)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 C31H24FN3O6S2 MW 617.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24FN3O6S2/c1-3-40-22-13-12-18(15-23(22)39-2)26-25(27(36)24-14-17-8-5-7-11-21(17)41-24)28(37)29(38)35(26)30-33-34-31(43-30)42-16-19-9-4-6-10-20(19)32/h4-15,26,37H,3,16H2,1-2H3InChIKey
ZWILMJBEOCXOMT-UHFFFAOYSA-NSynonyms
3(1BENZOFURAN2CARBONYL)2(4ETHOXY3METHOXYPHENYL)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4HYDROXY2HPYRROL5ONE
4(1benzofuran2ylcarbonyl)5(4ethoxy3methoxyphenyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy15dihydro2Hpyrrol2one
CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4F)O)C(=O)C5=CC6=CC=CC=C6O5)OC
InChI=1SC31H24FN3O6S2c134022131218(1523(22)392)2625(27(36)2414178571121(17)4124)28(37)29(38)35(26)30333431(4330)4216199461020(19)32h4152637H316H212H3
MFCD04148002
ZINC000008383458
ZINC000008383461
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