Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Catalog ID
STK908111
SMILES COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)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 C29H22FN3O6S2 MW 591.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22FN3O6S2/c1-37-19-9-6-16(7-10-19)24-23(25(34)17-8-11-21-22(14-17)39-13-12-38-21)26(35)27(36)33(24)28-31-32-29(41-28)40-15-18-4-2-3-5-20(18)30/h2-11,14,24,35H,12-13,15H2,1H3InChIKey
IOCMNPPNCPEVOZ-UHFFFAOYSA-NSynonyms
4(23dihydro14benzodioxin6ylcarbonyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)3hydroxy5(4methoxyphenyl)15dihydro2Hpyrrol2one
4(23dihydrobenzo(b)(14)dioxine6carbonyl)1(5((2fluorobenzyl)thio)134thiadiazol2yl)3hydroxy5(4methoxyphenyl)1Hpyrrol2(5H)one
MFCD04543188
ZINC000097968232
ZINC000097968233
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