Vitas-M small molecule compound
5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK905265
SMILES C=CCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2F)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 C34H30FN3O6S2 MW 659.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30FN3O6S2/c1-4-14-43-26-13-10-20(17-27(26)42-5-2)29-28(30(39)21-11-12-25-23(16-21)15-19(3)44-25)31(40)32(41)38(29)33-36-37-34(46-33)45-18-22-8-6-7-9-24(22)35/h4,6-13,16-17,19,29,40H,1,5,14-15,18H2,2-3H3InChIKey
KCRJCYIUCXXRLV-UHFFFAOYSA-NSynonyms
5(3ethoxy4(prop2en1yloxy)phenyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy4((2methyl23dihydro1benzofuran5yl)carbonyl)15dihydro2Hpyrrol2one
5(4(allyloxy)3ethoxyphenyl)1(5((2fluorobenzyl)thio)134thiadiazol2yl)3hydroxy4(2methyl23dihydrobenzofuran5carbonyl)1Hpyrrol2(5H)one
MFCD18065160
ZINC000097969734
ZINC000097969737
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