Vitas-M small molecule compound
2-[(E)-(3-oxo-6,7,8,9-tetrahydro-3H-imidazo[1,2-a]azepin-2(5H)-ylidene)methyl]phenyl 4-methylbenzoate
Catalog ID
STL112244
SMILES Cc1ccc(cc1)C(=O)Oc1ccccc1/C=C\1/N=C2N(C1=O)CCCCC2
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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 C23H22N2O3 MW 374.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3/c1-16-10-12-17(13-11-16)23(27)28-20-8-5-4-7-18(20)15-19-22(26)25-14-6-2-3-9-21(25)24-19/h4-5,7-8,10-13,15H,2-3,6,9,14H2,1H3/b19-15+InChIKey
XSOWVEFRKUKWHW-XDJHFCHBSA-NSynonyms
(2((E)(3oxo6789tetrahydro5Himidazo(12a)azepin2ylidene)methyl)phenyl)4methylbenzoate
2((3OXO5H6H7H8H9H13DIAZOLINO(12A)AZAPERHYDROEPIN2YLIDENE)METHYL)PHENYL4METHYLBENZOATE
2((E)(3oxo6789tetrahydro3Himidazo(12a)azepin2(5H)ylidene)methyl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=C3C(=O)N4CCCCCC4=N3
Cc1ccc(cc1)C(=O)Oc1ccccc1C=C1N=C2N(C1=O)CCCCC2
InChI=1SC23H22N2O3c116101217(131116)23(27)2820854718(20)151922(26)2514623921(25)2419h4578101315H236914H21H3b1915+
MFCD02660296
ZINC000001408913
ZINC01408913
ZINC1408913
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