Vitas-M small molecule compound
methyl 3-(1-methyl-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
STL387086
SMILES COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1(C)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 C27H21NO4 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO4/c1-27-19-12-5-3-10-17(19)21(18-11-4-6-13-20(18)27)22-23(27)25(30)28(24(22)29)16-9-7-8-15(14-16)26(31)32-2/h3-14,21-23H,1-2H3InChIKey
PALMFLGUGCLKOV-UHFFFAOYSA-NSynonyms
CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC(=C6)C(=O)OC
InChI=1SC27H21NO4c1271912531017(19)21(1811461320(18)27)2223(27)25(30)28(24(22)29)1697815(1416)26(31)322h3142123H12H3
methyl3(1methyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD01142140
ZINC000017093549
ZINC000017093552
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