Vitas-M small molecule compound
(4S,7S)-4-(3,4-dimethoxyphenyl)-2-phenyl-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334795
SMILES COc1cc(ccc1OC)[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(=O)n([nH]2)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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-34-21-11-10-16(15-22(21)35-2)24-25-19(13-17(14-20(25)32)23-9-6-12-36-23)29-27-26(24)28(33)31(30-27)18-7-4-3-5-8-18/h3-12,15,17,24,29-30H,13-14H2,1-2H3/t17-,24-/m0/s1InChIKey
BLERLRITPDEZDF-XDHUDOTRSA-NSynonyms
(4S7S)4(34dimethoxyphenyl)2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)4(34dimethoxyphenyl)2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)N(N5)C6=CC=CC=C6)OC
COc1cc(ccc1OC)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(=O)n((nH)2)c1ccccc1
InChI=1SC28H25N3O4Sc13421111016(1522(21)352)242519(1317(1420(25)32)2396123623)292726(24)28(33)31(3027)187435818h3121517242930H1314H212H3t1724m0s1
MFCD13368744
ZINC000012349600
ZINC12349600
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