Vitas-M small molecule compound
1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-5-(3-hydroxyphenyl)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK907452
SMILES CC1Oc2c(C1)cc(cc2)C(=O)C1=C(O)C(=O)N(C1c1cccc(c1)O)c1nnc(s1)SCc1ccccc1F
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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 C29H22FN3O5S2 MW 575.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22FN3O5S2/c1-15-11-19-12-17(9-10-22(19)38-15)25(35)23-24(16-6-4-7-20(34)13-16)33(27(37)26(23)36)28-31-32-29(40-28)39-14-18-5-2-3-8-21(18)30/h2-10,12-13,15,24,34,36H,11,14H2,1H3InChIKey
PCNKJAZIVDQLJD-UHFFFAOYSA-NSynonyms
1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy5(3hydroxyphenyl)4((2methyl23dihydro1benzofuran5yl)carbonyl)15dihydro2Hpyrrol2one
1(5((2fluorobenzyl)thio)134thiadiazol2yl)3hydroxy5(3hydroxyphenyl)4(2methyl23dihydrobenzofuran5carbonyl)1Hpyrrol2(5H)one
MFCD18065096
ZINC000097968351
ZINC000097968354
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