Vitas-M small molecule compound
butyl 4-({[4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)cyclohexyl]carbonyl}amino)benzoate
Catalog ID
STK275445
SMILES CCCCOC(=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 C29H34N2O5 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O5/c1-2-3-14-36-29(35)17-4-8-18(9-5-17)30-26(32)16-6-10-19(11-7-16)31-27(33)24-20-12-13-21(23-15-22(20)23)25(24)28(31)34/h4-5,8-9,12-13,16,19-25H,2-3,6-7,10-11,14-15H2,1H3,(H,30,32)InChIKey
HPTXZUSZCXNTSK-UHFFFAOYSA-NSynonyms
butyl4(((4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)cyclohexyl)carbonyl)amino)benzoate
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCC(CC2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC29H34N2O5c123143629(35)174818(9517)3026(32)1661019(11716)3127(33)2420121321(231522(20)23)25(24)28(31)34h45891213161925H236710111415H21H3(H3032)
MFCD02915639
ZINC000239309438
ZINC000239309446
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