Vitas-M small molecule compound
2-(4-methoxyphenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)heptanoate
Catalog ID
STK359295
SMILES CCCCC(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)CC(=O)OCC(=O)c1ccc(cc1)OC
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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 C27H31NO6 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6/c1-3-4-5-16(12-23(30)34-14-22(29)15-6-8-17(33-2)9-7-15)28-26(31)24-18-10-11-19(21-13-20(18)21)25(24)27(28)32/h6-11,16,18-21,24-25H,3-5,12-14H2,1-2H3InChIKey
TXTIYLCLFFXTBF-UHFFFAOYSA-NSynonyms
2(4methoxyphenyl)2oxoethyl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)heptanoate
CCCCC(CC(=O)OCC(=O)C1=CC=C(C=C1)OC)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC27H31NO6c134516(1223(30)341422(29)156817(332)9715)2826(31)2418101119(211320(18)21)25(24)27(28)32h6111618212425H351214H212H3
MFCD11852423
ZINC000245242268
ZINC000245242271
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