Vitas-M small molecule compound
3,5-dimethylphenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-3-phenylpropanoate
Catalog ID
STK381227
SMILES O=C(C(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)Cc1ccccc1)Oc1cc(C)cc(c1)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 C28H27NO4 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO4/c1-15-10-16(2)12-18(11-15)33-28(32)23(13-17-6-4-3-5-7-17)29-26(30)24-19-8-9-20(22-14-21(19)22)25(24)27(29)31/h3-12,19-25H,13-14H2,1-2H3InChIKey
GFUCHNKWMANOHB-UHFFFAOYSA-NSynonyms
35dimethylphenyl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)3phenylpropanoate
CC1=CC(=CC(=C1)OC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6)C
InChI=1SC28H27NO4c1151016(2)1218(1115)3328(32)23(13176435717)2926(30)24198920(221421(19)22)25(24)27(29)31h3121925H1314H212H3
MFCD02314679
ZINC000239305944
ZINC000239305947
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