Vitas-M small molecule compound
2-(2,5-dimethylphenyl)-2-oxoethyl 4-(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
STK376683
SMILES Cc1ccc(c(c1)C(=O)COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C
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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 C35H27NO5 MW 541.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27NO5/c1-19-11-12-20(2)27(17-19)28(37)18-41-35(40)21-13-15-22(16-14-21)36-33(38)31-29-23-7-3-4-8-24(23)30(32(31)34(36)39)26-10-6-5-9-25(26)29/h3-17,29-32H,18H2,1-2H3InChIKey
LUUWVTIKGQJYLH-UHFFFAOYSA-NSynonyms
2(25dimethylphenyl)2oxoethyl4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC35H27NO5c119111220(2)27(1719)28(37)184135(40)21131522(161421)3633(38)312923734824(23)30(32(31)34(36)39)261065925(26)29h3172932H18H212H3
MFCD01362379
ZINC000004178441
ZINC000004178446
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