Vitas-M small molecule compound
1-(4-methylphenyl)-1-oxopropan-2-yl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)heptanoate
Catalog ID
STK359296
SMILES CCCCC(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)CC(=O)OC(C(=O)c1ccc(cc1)C)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 C28H33NO5 MW 463.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO5/c1-4-5-6-18(13-23(30)34-16(3)26(31)17-9-7-15(2)8-10-17)29-27(32)24-19-11-12-20(22-14-21(19)22)25(24)28(29)33/h7-12,16,18-22,24-25H,4-6,13-14H2,1-3H3InChIKey
YMBRBFFTAJKUOY-UHFFFAOYSA-NSynonyms
1(4methylphenyl)1oxopropan2yl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)heptanoate
CCCCC(CC(=O)OC(C)C(=O)C1=CC=C(C=C1)C)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC28H33NO5c145618(1323(30)3416(3)26(31)179715(2)81017)2927(32)2419111220(221421(19)22)25(24)28(29)33h7121618222425H461314H213H3
MFCD11852424
ZINC000239254606
ZINC000239254609
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