Vitas-M small molecule compound
(2Z)-N-(4-chloro-2-methylphenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanamide
Catalog ID
STK585511
SMILES O=C(Nc1ccc(cc1C)Cl)/C=C/1\NCCc2c1cc1OCCCOc1c2
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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 C21H21ClN2O3 MW 384.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O3/c1-13-9-15(22)3-4-17(13)24-21(25)12-18-16-11-20-19(26-7-2-8-27-20)10-14(16)5-6-23-18/h3-4,9-12,23H,2,5-8H2,1H3,(H,24,25)/b18-12-InChIKey
AIMSVLKZNLMXNF-PDGQHHTCSA-NSynonyms
892623-92-6(2Z)N(4chloro2methylphenyl)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)acetamide
(2Z)N(4chloro2methylphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanamide
(Z)N(4chloro2methylphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)acetamide
892623926
CC1=C(C=CC(=C1)Cl)NC(=O)C=C2C3=CC4=C(C=C3CCN2)OCCCO4
InChI=1SC21H21ClN2O3c113915(22)3417(13)2421(25)121816112019(267282720)1014(16)562318h3491223H258H21H3(H2425)b1812
MFCD07640067
O=C(Nc1ccc(cc1C)Cl)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000005429255
ZINC05429255
ZINC5429255
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