Vitas-M small molecule compound
methyl 2-{3-[(2E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK515423
SMILES COC(=O)c1sc(nc1C)N1C(c2ccccc2)C(=C(C1=O)O)C(=O)/C=C/c1ccco1
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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 C23H18N2O6S MW 450.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O6S/c1-13-20(22(29)30-2)32-23(24-13)25-18(14-7-4-3-5-8-14)17(19(27)21(25)28)16(26)11-10-15-9-6-12-31-15/h3-12,18,27H,1-2H3/b11-10+InChIKey
DQYIPTVXYAOYIY-ZHACJKMWSA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)C=CC3=CC=CO3)C4=CC=CC=C4)C(=O)OC
COC(=O)c1sc(nc1C)N1C(c2ccccc2)C(=C(C1=O)O)C(=O)C=Cc1ccco1
InChI=1SC23H18N2O6Sc11320(22(29)302)3223(2413)2518(147435814)17(19(27)21(25)28)16(26)11101596123115h3121827H12H3b1110+
methyl2(3((2E)3(furan2yl)prop2enoyl)4hydroxy5oxo2phenyl25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
methyl2(3((E)3(furan2yl)prop2enoyl)4hydroxy5oxo2phenyl2Hpyrrol1yl)4methyl13thiazole5carboxylate
MFCD06645250
ZINC000016741880
ZINC000016741881
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