Vitas-M small molecule compound
2-amino-1-(4-chloro-2-nitrophenyl)-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174862
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)c1ccccc1)c1ccc(cc1[N+](=O)[O-])Cl)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 C30H25ClN4O4 MW 541.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN4O4/c1-2-39-22-11-8-19(9-12-22)28-23(17-32)30(33)34(24-13-10-21(31)16-25(24)35(37)38)26-14-20(15-27(36)29(26)28)18-6-4-3-5-7-18/h3-13,16,20,28H,2,14-15,33H2,1H3InChIKey
CZBOXXQNDGBSDT-UHFFFAOYSA-NSynonyms
444930-45-42amino1(4chloro2nitrophenyl)4(4ethoxyphenyl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino1(4chloro2nitrophenyl)4(4ethoxyphenyl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
444930454
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)(N+)(=O)(O))N)C#N
CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)c1ccccc1)c1ccc(cc1(N+)(=O)(O))Cl)C#N
InChI=1SC30H25ClN4O4c12392211819(91222)2823(1732)30(33)34(24131021(31)1625(24)35(37)38)261420(1527(36)29(26)28)186435718h313162028H2141533H21H3
MFCD03071088
ZINC000008456072
ZINC000008456075
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