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 2-methylbenzoate
Catalog ID
STK533669
SMILES O=C1/C(=C\c2ccccc2OC(=O)c2ccccc2C)/N=C2N1CCCCC2
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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/c1-16-9-4-6-11-18(16)23(27)28-20-12-7-5-10-17(20)15-19-22(26)25-14-8-2-3-13-21(25)24-19/h4-7,9-12,15H,2-3,8,13-14H2,1H3/b19-15+InChIKey
GWOKQHPIXLWSON-XDJHFCHBSA-NSynonyms
(2((E)(3oxo6789tetrahydro5Himidazo(12a)azepin2ylidene)methyl)phenyl)2methylbenzoate
(E)2((3oxo356789hexahydro2Himidazo(12a)azepin2ylidene)methyl)phenyl2methylbenzoate
2((3OXO5H6H7H8H9H13DIAZOLINO(12A)AZAPERHYDROEPIN2YLIDENE)METHYL)PHENYL2METHYLBENZOATE
2((E)(3oxo6789tetrahydro3Himidazo(12a)azepin2(5H)ylidene)methyl)phenyl2methylbenzoate
CC1=CC=CC=C1C(=O)OC2=CC=CC=C2C=C3C(=O)N4CCCCCC4=N3
InChI=1SC23H22N2O3c1169461118(16)23(27)282012751017(20)151922(26)25148231321(25)2419h4791215H2381314H21H3b1915+
MFCD02990670
O=C1C(=Cc2ccccc2OC(=O)c2ccccc2C)N=C2N1CCCCC2
ZINC000001409672
ZINC01409672
ZINC1409672
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