Vitas-M small molecule compound
2-(4-methylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-3-phenylpropanoate
Catalog ID
STK252704
SMILES Cc1ccc(cc1)C(=O)COC(=O)C(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)Cc1ccccc1
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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 C29H27NO5 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO5/c1-16-7-9-18(10-8-16)24(31)15-35-29(34)23(13-17-5-3-2-4-6-17)30-27(32)25-19-11-12-20(22-14-21(19)22)26(25)28(30)33/h2-12,19-23,25-26H,13-15H2,1H3InChIKey
NKEJOXFMFFHAFJ-UHFFFAOYSA-NSynonyms
459155-61-42(4METHYLPHENYL)2OXOETHYL2(13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)3PHENYLPROPANOATE
2oxo2(ptolyl)ethyl2(13dioxo33a44a55a66aoctahydro46ethenocyclopropa(f)isoindol2(1H)yl)3phenylpropanoate
459155614
CC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC29H27NO5c1167918(10816)24(31)153529(34)23(13175324617)3027(32)2519111220(221421(19)22)26(25)28(30)33h21219232526H1315H21H3
MFCD02189104
ZINC000239165073
ZINC000239165076
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