Vitas-M small molecule compound
methyl 4-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Catalog ID
STK599107
SMILES COC(=O)c1ccc(cc1)C1N(c2sc3c(n2)c(C)cc(c3)C)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 C28H20N2O5S MW 496.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N2O5S/c1-14-12-15(2)22-20(13-14)36-28(29-22)30-23(16-8-10-17(11-9-16)27(33)34-3)21-24(31)18-6-4-5-7-19(18)35-25(21)26(30)32/h4-13,23H,1-3H3InChIKey
TZCQXWBIGJCBDU-UHFFFAOYSA-NSynonyms
874457-17-7874457177
CC1=CC(=C2C(=C1)SC(=N2)N3C(C4=C(C3=O)OC5=CC=CC=C5C4=O)C6=CC=C(C=C6)C(=O)OC)C
InChI=1SC28H20N2O5Sc1141215(2)2220(1314)3628(2922)3023(1681017(11916)27(33)343)2124(31)18645719(18)3525(21)26(30)32h41323H13H3
methyl4(2(46dimethyl13benzothiazol2yl)39dioxo1239tetrahydrochromeno(23c)pyrrol1yl)benzoate
METHYL4(2(46DIMETHYL13BENZOTHIAZOL2YL)39DIOXO1HCHROMENO(23C)PYRROL1YL)BENZOATE
methyl4(2(46dimethylbenzo(d)thiazol2yl)39dioxo1239tetrahydrochromeno(23c)pyrrol1yl)benzoate
METHYL4(2(46DIMETHYLBENZOTHIAZOL2YL)39DIOXOCHROMENO(23C)3PYRROLINYL)BENZOATE
MFCD06611491
ZINC000002353783
ZINC000002353784
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