Vitas-M small molecule compound
2-amino-1-(4-chloro-3-nitrophenyl)-4-(2,5-dimethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174368
SMILES COc1ccc(c(c1)C1C(=C(N)N(C2=C1C(=O)CC(C2)c1ccccc1)c1ccc(c(c1)[N+](=O)[O-])Cl)C#N)OC
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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 C30H25ClN4O5 MW 557.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN4O5/c1-39-20-9-11-27(40-2)21(15-20)28-22(16-32)30(33)34(19-8-10-23(31)24(14-19)35(37)38)25-12-18(13-26(36)29(25)28)17-6-4-3-5-7-17/h3-11,14-15,18,28H,12-13,33H2,1-2H3InChIKey
CRUJHMJNBDTIRL-UHFFFAOYSA-NSynonyms
514843-30-22amino1(4chloro3nitrophenyl)4(25dimethoxyphenyl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino1(4chloro3nitrophenyl)4(25dimethoxyphenyl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
514843302
COC1=CC(=C(C=C1)OC)C2C(=C(N(C3=C2C(=O)CC(C3)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)(N+)(=O)(O))N)C#N
COc1ccc(c(c1)C1C(=C(N)N(C2=C1C(=O)CC(C2)c1ccccc1)c1ccc(c(c1)(N+)(=O)(O))Cl)C#N)OC
InChI=1SC30H25ClN4O5c1392091127(402)21(1520)2822(1632)30(33)34(1981023(31)24(1419)35(37)38)251218(1326(36)29(25)28)176435717h31114151828H121333H212H3
MFCD02606587
ZINC000002761540
ZINC000002761543
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