Vitas-M small molecule compound
ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate
Catalog ID
STK581681
SMILES CCOc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C(=O)OCC)C(=O)c2c1c(=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 C29H22N2O6S MW 526.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N2O6S/c1-3-35-18-12-9-16(10-13-18)24-23-25(32)19-7-5-6-8-21(19)37-26(23)27(33)31(24)29-30-20-14-11-17(15-22(20)38-29)28(34)36-4-2/h5-15,24H,3-4H2,1-2H3InChIKey
BTIILODRSUKVMV-UHFFFAOYSA-NSynonyms
874456-72-1874456721
CCOC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NC5=C(S4)C=C(C=C5)C(=O)OCC)OC6=CC=CC=C6C3=O
ETHYL2(1(4ETHOXYPHENYL)39DIOXO1HCHROMENO(23C)PYRROL2YL)13BENZOTHIAZOLE6CARBOXYLATE
ethyl2(1(4ethoxyphenyl)39dioxo39dihydrochromeno(23c)pyrrol2(1H)yl)13benzothiazole6carboxylate
ETHYL2(1(4ETHOXYPHENYL)39DIOXOCHROMENO(23C)3PYRROLIN2YL)BENZOTHIAZOLE6CARBOXYLATE
ethyl2(1(4ethoxyphenyl)39dioxochromeno(23c)pyrrol2(1H3H9H)yl)benzo(d)thiazole6carboxylate
InChI=1SC29H22N2O6Sc13351812916(101318)242325(32)19756821(19)3726(23)27(33)31(24)293020141117(1522(20)3829)28(34)3642h51524H34H212H3
MFCD06602730
ZINC000002236298
ZINC000002236301
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