Vitas-M small molecule compound
ethyl 2-[1-(4-methylphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate
Catalog ID
STK589506
SMILES CCOC(=O)c1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)C)c(=O)c1c(o2)cccc1
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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 C28H20N2O5S MW 496.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N2O5S/c1-3-34-27(33)17-12-13-19-21(14-17)36-28(29-19)30-23(16-10-8-15(2)9-11-16)22-24(31)18-6-4-5-7-20(18)35-25(22)26(30)32/h4-14,23H,3H2,1-2H3InChIKey
UCVKBRKGZNSFPO-UHFFFAOYSA-NSynonyms
874456-74-3874456743
CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N3C(C4=C(C3=O)OC5=CC=CC=C5C4=O)C6=CC=C(C=C6)C
ETHYL2(1(4METHYLPHENYL)39DIOXO1HCHROMENO(23C)PYRROL2YL)13BENZOTHIAZOLE6CARBOXYLATE
ethyl2(1(4methylphenyl)39dioxo39dihydrochromeno(23c)pyrrol2(1H)yl)13benzothiazole6carboxylate
ETHYL2(1(4METHYLPHENYL)39DIOXOCHROMENO(23C)3PYRROLIN2YL)BENZOTHIAZOLE6CARBOXYLATE
ethyl2(39dioxo1(ptolyl)chromeno(23c)pyrrol2(1H3H9H)yl)benzo(d)thiazole6carboxylate
InChI=1SC28H20N2O5Sc133427(33)1712131921(1417)3628(2919)3023(1610815(2)91116)2224(31)18645720(18)3525(22)26(30)32h41423H3H212H3
MFCD06597750
ZINC000002211743
ZINC000002211745
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