Vitas-M small molecule compound
(4S,7S)-4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK335285
SMILES COc1ccc(cc1OC)[C@@H]1CC(=O)C2=C(C1)Nc1c([C@H]2c2ccccc2Cl)c(=O)n([nH]1)c1ccccc1
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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 C30H26ClN3O4 MW 528.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O4/c1-37-24-13-12-17(16-25(24)38-2)18-14-22-27(23(35)15-18)26(20-10-6-7-11-21(20)31)28-29(32-22)33-34(30(28)36)19-8-4-3-5-9-19/h3-13,16,18,26,32-33H,14-15H2,1-2H3/t18-,26-/m0/s1InChIKey
DMVJBZXBMBKGDI-QYBDOPJKSA-NSynonyms
(4S7S)4(2chlorophenyl)7(34dimethoxyphenyl)2phenyl146789hexahydropyrazolo(34b)quinoline35dione
(4S7S)4(2chlorophenyl)7(34dimethoxyphenyl)2phenyl4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
COC1=C(C=C(C=C1)C2CC3=C(C(C4=C(N3)NN(C4=O)C5=CC=CC=C5)C6=CC=CC=C6Cl)C(=O)C2)OC
COc1ccc(cc1OC)(C@@H)1CC(=O)C2=C(C1)Nc1c((C@H)2c2ccccc2Cl)c(=O)n((nH)1)c1ccccc1
InChI=1SC30H26ClN3O4c13724131217(1625(24)382)18142227(23(35)1518)26(2010671121(20)31)2829(3222)3334(30(28)36)198435919h3131618263233H1415H212H3t1826m0s1
MFCD13368794
ZINC000102052684
ZINC102052684
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