Vitas-M small molecule compound
prop-2-en-1-yl 2-[1-(3-ethoxy-4-hydroxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK817954
SMILES C=CCOC(=O)c1sc(nc1C)N1C(=O)c2c(C1c1ccc(c(c1)OCC)O)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 C27H22N2O7S MW 518.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O7S/c1-4-12-35-26(33)24-14(3)28-27(37-24)29-21(15-10-11-17(30)19(13-15)34-5-2)20-22(31)16-8-6-7-9-18(16)36-23(20)25(29)32/h4,6-11,13,21,30H,1,5,12H2,2-3H3InChIKey
VEKHZCLRNRBBBO-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=NC(=C(S4)C(=O)OCC=C)C)OC5=CC=CC=C5C3=O)O
InChI=1SC27H22N2O7Sc14123526(33)2414(3)2827(3724)2921(15101117(30)19(1315)3452)2022(31)16867918(16)3623(20)25(29)32h4611132130H1512H223H3
MFCD06289453
prop2en1yl2(1(3ethoxy4hydroxyphenyl)39dioxo39dihydrochromeno(23c)pyrrol2(1H)yl)4methyl13thiazole5carboxylate
PROP2ENYL2(1(3ETHOXY4HYDROXYPHENYL)39DIOXO1HCHROMENO(23C)PYRROL2YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000003643551
ZINC000003643552
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