Vitas-M small molecule compound
2-amino-4-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-5-oxo-1-(phenylamino)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL415978
SMILES C=CCOc1ccc(cc1OC)C1C(=C(N)N(C2=C1C(=O)CCC2)Nc1ccccc1)C#N
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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 C26H26N4O3 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3/c1-3-14-33-22-13-12-17(15-23(22)32-2)24-19(16-27)26(28)30(29-18-8-5-4-6-9-18)20-10-7-11-21(31)25(20)24/h3-6,8-9,12-13,15,24,29H,1,7,10-11,14,28H2,2H3InChIKey
WMRMMTAOYOBLBP-UHFFFAOYSA-NSynonyms
2amino1anilino4(3methoxy4prop2enoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
2amino4(3methoxy4(prop2en1yloxy)phenyl)5oxo1(phenylamino)145678hexahydroquinoline3carbonitrile
COC1=C(C=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)NC4=CC=CC=C4)N)C#N)OCC=C
InChI=1SC26H26N4O3c13143322131217(1523(22)322)2419(1627)26(28)30(29188546918)201071121(31)25(20)24h36891213152429H1710111428H22H3
MFCD04091418
ZINC000002179309
ZINC000002179310
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