Vitas-M small molecule compound
methyl 4-[2-(4-methylbenzyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Catalog ID
STK910728
SMILES COC(=O)c1ccc(cc1)C1N(Cc2ccc(cc2)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 C27H21NO5 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO5/c1-16-7-9-17(10-8-16)15-28-23(18-11-13-19(14-12-18)27(31)32-2)22-24(29)20-5-3-4-6-21(20)33-25(22)26(28)30/h3-14,23H,15H2,1-2H3InChIKey
NPSVSROYFOWBFX-UHFFFAOYSA-NSynonyms
862197-74-8862197748
CC1=CC=C(C=C1)CN2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(=O)OC
InChI=1SC27H21NO5c1167917(10816)152823(18111319(141218)27(31)322)2224(29)20534621(20)3325(22)26(28)30h31423H15H212H3
METHYL4(2((4METHYLPHENYL)METHYL)39DIOXO1HCHROMENO(23C)PYRROL1YL)BENZOATE
methyl4(2(4methylbenzyl)39dioxo1239tetrahydrochromeno(23c)pyrrol1yl)benzoate
MFCD05696829
ZINC000008869515
ZINC000008869516
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