Vitas-M small molecule compound
methyl 3-(1-formyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)
Catalog ID
STK264398
SMILES COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1(C=O)c3c(C2c2c1cccc2)cccc3
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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 C27H19NO5 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19NO5/c1-33-26(32)15-7-6-8-16(13-15)28-24(30)22-21-17-9-2-4-11-19(17)27(14-29,23(22)25(28)31)20-12-5-3-10-18(20)21/h2-14,21-23H,1H3InChIKey
NVZYJYZWQRIHJY-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C=O
InChI=1SC27H19NO5c13326(32)1576816(1315)2824(30)2221179241119(17)27(142923(22)25(28)31)2012531018(20)21h2142123H1H3
methyl3(1formyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD01171046
ZINC000000657152
ZINC000000657158
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