Vitas-M small molecule compound

methyl 4-({[4-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)cyclohexyl]carbonyl}amino)benzoate

Catalog ID
STK275375
SMILES COC(=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 C26H28N2O5 MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O5/c1-33-26(32)14-2-6-15(7-3-14)27-23(29)13-4-8-16(9-5-13)28-24(30)21-17-10-11-18(20-12-19(17)20)22(21)25(28)31/h2-3,6-7,10-11,13,16-22H,4-5,8-9,12H2,1H3,(H,27,29)
InChIKey
SKVDKPAIMJETCO-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCC(CC2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC26H28N2O5c13326(32)142615(7314)2723(29)134816(9513)2824(30)2117101118(201219(17)20)22(21)25(28)31h23671011131622H458912H21H3(H2729)
methyl4(((4(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)cyclohexyl)carbonyl)amino)benzoate
MFCD02915565
ZINC000239203472
ZINC000239203475

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.