Vitas-M small molecule compound
2-methylpropyl 4-{[2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-3-phenylpropanoyl]amino}benzoate
Catalog ID
STK387168
SMILES CC(COC(=O)c1ccc(cc1)NC(=O)C(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)Cc1ccccc1)C
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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 C31H32N2O5 MW 512.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O5/c1-17(2)16-38-31(37)19-8-10-20(11-9-19)32-28(34)25(14-18-6-4-3-5-7-18)33-29(35)26-21-12-13-22(24-15-23(21)24)27(26)30(33)36/h3-13,17,21-27H,14-16H2,1-2H3,(H,32,34)InChIKey
ACIKZTQTPZDTJY-UHFFFAOYSA-NSynonyms
2methylpropyl4((2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)3phenylpropanoyl)amino)benzoate
CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC31H32N2O5c117(2)163831(37)1981020(11919)3228(34)25(14186435718)3329(35)2621121322(241523(21)24)27(26)30(33)36h313172127H1416H212H3(H3234)
MFCD03103948
ZINC000238997244
ZINC000238997247
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