Vitas-M small molecule compound
ethyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate
Catalog ID
STK132142
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CN1C(=O)C2C(C1=O)C1C=CC2C2C1C2
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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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-2-29-22(28)11-3-5-12(6-4-11)23-17(25)10-24-20(26)18-13-7-8-14(16-9-15(13)16)19(18)21(24)27/h3-8,13-16,18-19H,2,9-10H2,1H3,(H,23,25)InChIKey
ZWRFSENEQUZIKB-UHFFFAOYSA-NSynonyms
1005069-10-21005069102
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5
ETHYL4((((3AR4S4AR5AS6R6AS)13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)ACETYL)AMINO)BENZOATE
ETHYL4(((13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)ACETYL)AMINO)BENZOATE
InChI=1SC22H22N2O5c122922(28)113512(6411)2317(25)102420(26)18137814(16915(13)16)19(18)21(24)27h3813161819H2910H21H3(H2325)
MFCD03037711
ZINC000242750709
ZINC000242750713
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