Vitas-M small molecule compound
3-(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)phenyl heptanoate (non-preferred name)
Catalog ID
STK247588
SMILES CCCCCCC(=O)Oc1cccc(c1)N1C(=O)C2C(C1=O)C1c3c(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 C31H29NO4 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO4/c1-2-3-4-5-17-25(33)36-20-12-10-11-19(18-20)32-30(34)28-26-21-13-6-7-14-22(21)27(29(28)31(32)35)24-16-9-8-15-23(24)26/h6-16,18,26-29H,2-5,17H2,1H3InChIKey
GJMUDKOCPGQEEI-UHFFFAOYSA-NSynonyms
3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)phenylheptanoate(nonpreferredname)
CCCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC31H29NO4c123451725(33)362012101119(1820)3230(34)28262113671422(21)27(29(28)31(32)35)2416981523(24)26h616182629H2517H21H3
MFCD01174585
ZINC000009667862
ZINC000018119747
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