Vitas-M small molecule compound
methyl 4-{4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Catalog ID
STK815783
SMILES COC(=O)c1ccc(cc1)C1C(=C(C(=O)N1c1sc2c(n1)ccc(c2)C)O)C(=O)c1ccc(cc1)C
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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 C28H22N2O5S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O5S/c1-15-4-7-18(8-5-15)24(31)22-23(17-9-11-19(12-10-17)27(34)35-3)30(26(33)25(22)32)28-29-20-13-6-16(2)14-21(20)36-28/h4-14,23,32H,1-3H3InChIKey
GQHJGGQPFAFVLG-UHFFFAOYSA-NSynonyms
methyl4(4hydroxy1(6methyl13benzothiazol2yl)3((4methylphenyl)carbonyl)5oxo25dihydro1Hpyrrol2yl)benzoate
MFCD03783729
ZINC000000702393
ZINC000000702394
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