Vitas-M small molecule compound
5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-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
STK906517
SMILES C=CCOc1ccc(cc1OCC)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 C35H33N3O6S2 MW 655.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33N3O6S2/c1-5-15-43-27-14-11-23(18-28(27)42-6-2)30-29(31(39)24-12-13-26-25(17-24)16-21(4)44-26)32(40)33(41)38(30)34-36-37-35(46-34)45-19-22-9-7-20(3)8-10-22/h5,7-14,17-18,21,30,40H,1,6,15-16,19H2,2-4H3InChIKey
XCXVNGFHBWUOPR-UHFFFAOYSA-NSynonyms
5(3ethoxy4(prop2en1yloxy)phenyl)3hydroxy1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)4((2methyl23dihydro1benzofuran5yl)carbonyl)15dihydro2Hpyrrol2one
5(4(allyloxy)3ethoxyphenyl)3hydroxy4(2methyl23dihydrobenzofuran5carbonyl)1(5((4methylbenzyl)thio)134thiadiazol2yl)1Hpyrrol2(5H)one
MFCD18076344
ZINC000097970009
ZINC000097970012
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