Vitas-M small molecule compound
2-chlorophenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate
Catalog ID
STK257876
SMILES O=C(C(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C)Oc1ccccc1Cl
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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 C20H18ClNO4 MW 371.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO4/c1-9(20(25)26-15-5-3-2-4-14(15)21)22-18(23)16-10-6-7-11(13-8-12(10)13)17(16)19(22)24/h2-7,9-13,16-17H,8H2,1H3InChIKey
UXMMFRICWNOZIQ-UHFFFAOYSA-NSynonyms
2chlorophenyl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanoate
CC(C(=O)OC1=CC=CC=C1Cl)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC20H18ClNO4c19(20(25)2615532414(15)21)2218(23)16106711(13812(10)13)17(16)19(22)24h279131617H8H21H3
MFCD03578107
ZINC000239425640
ZINC000244852723
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