Vitas-M small molecule compound
methyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Catalog ID
STK820280
SMILES COC(=O)c1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)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 C29H22N2O7S MW 542.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O7S/c1-15-3-9-19-22(13-15)39-29(30-19)31-24(16-4-6-17(7-5-16)28(35)36-2)23(26(33)27(31)34)25(32)18-8-10-20-21(14-18)38-12-11-37-20/h3-10,13-14,24,33H,11-12H2,1-2H3InChIKey
UKZJOAMUAPKWDO-UHFFFAOYSA-NSynonyms
methyl4(3(23dihydro14benzodioxin6ylcarbonyl)4hydroxy1(6methyl13benzothiazol2yl)5oxo25dihydro1Hpyrrol2yl)benzoate
methyl4(3(23dihydrobenzo(b)(14)dioxine6carbonyl)4hydroxy1(6methylbenzo(d)thiazol2yl)5oxo25dihydro1Hpyrrol2yl)benzoate
MFCD04030124
ZINC000053335382
ZINC000053335384
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