Vitas-M small molecule compound
1-(cyclohexa-2,4-dien-1-yl)-1-oxopropan-2-yl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK381105
SMILES O=C(C(OC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C)C1CC=CC=C1
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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 C27H25NO5 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5/c1-14(24(29)15-6-3-2-4-7-15)33-27(32)16-8-5-9-17(12-16)28-25(30)22-18-10-11-19(21-13-20(18)21)23(22)26(28)31/h2-6,8-12,14-15,18-23H,7,13H2,1H3InChIKey
CNFNVPVYNITYEO-UHFFFAOYSA-NSynonyms
1(cyclohexa24dien1yl)1oxopropan2yl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
2CYCLOHEXA24DIEN1YL1METHYL2OXOETHYL3(13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)BENZOATE
CC(C(=O)C1CC=CC=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC27H25NO5c114(24(29)156324715)3327(32)1685917(1216)2825(30)2218101119(211320(18)21)23(22)26(28)31h2681214151823H713H21H3
MFCD02189114
ZINC000239030880
ZINC000239030883
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