Vitas-M small molecule compound
methyl 4-[2-(6-ethoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Catalog ID
STK597527
SMILES CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)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 C28H20N2O6S MW 512.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N2O6S/c1-3-35-17-12-13-19-21(14-17)37-28(29-19)30-23(15-8-10-16(11-9-15)27(33)34-2)22-24(31)18-6-4-5-7-20(18)36-25(22)26(30)32/h4-14,23H,3H2,1-2H3InChIKey
CADWKVIRKFXRNL-UHFFFAOYSA-NSynonyms
874456-54-9874456549
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C4=C(C3=O)OC5=CC=CC=C5C4=O)C6=CC=C(C=C6)C(=O)OC
InChI=1SC28H20N2O6Sc13351712131921(1417)3728(2919)3023(1581016(11915)27(33)342)2224(31)18645720(18)3625(22)26(30)32h41423H3H212H3
methyl4(2(6ethoxy13benzothiazol2yl)39dioxo1239tetrahydrochromeno(23c)pyrrol1yl)benzoate
METHYL4(2(6ETHOXY13BENZOTHIAZOL2YL)39DIOXO1HCHROMENO(23C)PYRROL1YL)BENZOATE
methyl4(2(6ethoxybenzo(d)thiazol2yl)39dioxo1239tetrahydrochromeno(23c)pyrrol1yl)benzoate
METHYL4(2(6ETHOXYBENZOTHIAZOL2YL)39DIOXOCHROMENO(23C)3PYRROLINYL)BENZOATE
MFCD06605566
ZINC000002325226
ZINC000002325227
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