Vitas-M small molecule compound
5-(3-butoxyphenyl)-3-hydroxy-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK905279
SMILES CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)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 C34H33N3O5S2 MW 627.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N3O5S2/c1-4-5-15-41-26-8-6-7-23(18-26)29-28(30(38)24-13-14-27-25(17-24)16-21(3)42-27)31(39)32(40)37(29)33-35-36-34(44-33)43-19-22-11-9-20(2)10-12-22/h6-14,17-18,21,29,39H,4-5,15-16,19H2,1-3H3InChIKey
DFEOEXJTMFPHGM-UHFFFAOYSA-NSynonyms
5(3butoxyphenyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)4((2methyl23dihydro1benzofuran5yl)carbonyl)15dihydro2Hpyrrol2one
5(3butoxyphenyl)3hydroxy4(2methyl23dihydrobenzofuran5carbonyl)1(5((4methylbenzyl)thio)134thiadiazol2yl)1Hpyrrol2(5H)one
MFCD18065065
ZINC000097967344
ZINC000097967347
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