Vitas-M small molecule compound
ethyl 4-({[4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)cyclohexyl]carbonyl}amino)benzoate
Catalog ID
STK275376
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1CCC(CC1)N1C(=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 C27H30N2O5 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5/c1-2-34-27(33)15-3-7-16(8-4-15)28-24(30)14-5-9-17(10-6-14)29-25(31)22-18-11-12-19(21-13-20(18)21)23(22)26(29)32/h3-4,7-8,11-12,14,17-23H,2,5-6,9-10,13H2,1H3,(H,28,30)InChIKey
FDEXGLDEAIYGJL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCC(CC2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
ETHYL4(((4((3AR4S4AR5AS6R6AS)13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)CYCLOHEXYL)CARBONYL)AMINO)BENZOATE
ethyl4(((4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)cyclohexyl)carbonyl)amino)benzoate
InChI=1SC27H30N2O5c123427(33)153716(8415)2824(30)145917(10614)2925(31)2218111219(211320(18)21)23(22)26(29)32h34781112141723H25691013H21H3(H2830)
MFCD02915566
ZINC000239038899
ZINC000239038902
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