Vitas-M small molecule compound

methyl 4-(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate

Catalog ID
STK684472
SMILES COC(=O)CCC(=O)C1=C(CCCC1=O)NCCc1nc2c([nH]1)cccc2

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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 C20H23N3O4 MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O4/c1-27-19(26)10-9-17(25)20-15(7-4-8-16(20)24)21-12-11-18-22-13-5-2-3-6-14(13)23-18/h2-3,5-6,21H,4,7-12H2,1H3,(H,22,23)
InChIKey
GIZRZQGBDLMEMA-UHFFFAOYSA-N
Synonyms

COC(=O)CCC(=O)C1=C(CCCC1=O)NCCc1nc2c((nH)1)cccc2
COC(=O)CCC(=O)C1=C(CCCC1=O)NCCC2=NC3=CC=CC=C3N2
InChI=1SC20H23N3O4c12719(26)10917(25)2015(74816(20)24)211211182213523614(13)2318h235621H4712H21H3(H2223)
methyl4(2((2(1Hbenzimidazol2yl)ethyl)amino)6oxocyclohex1en1yl)4oxobutanoate
METHYL4(2(2(1HBENZIMIDAZOL2YL)ETHYLAMINO)6OXOCYCLOHEXEN1YL)4OXOBUTANOATE
MFCD05854676
ZINC000100168099
ZINC100168099

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Available files

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