Vitas-M small molecule compound
(4S,7S)-4-(2,3-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
STK334793
SMILES COc1c(OC)cccc1[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/c1-34-21-11-6-10-18(26(21)35-2)23-24-19(14-16(15-20(24)32)22-12-7-13-36-22)29-27-25(23)28(33)31(30-27)17-8-4-3-5-9-17/h3-13,16,23,29-30H,14-15H2,1-2H3/t16-,23-/m0/s1InChIKey
ZPXLVEMAKZDITR-HJPURHCSSA-NSynonyms
(4S7S)4(23dimethoxyphenyl)2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)4(23dimethoxyphenyl)2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
COC1=CC=CC(=C1OC)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)N(N5)C6=CC=CC=C6
COc1c(OC)cccc1(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(=O)n((nH)2)c1ccccc1
InChI=1SC28H25N3O4Sc134211161018(26(21)352)232419(1416(1520(24)32)22127133622)292725(23)28(33)31(3027)178435917h31316232930H1415H212H3t1623m0s1
MFCD13368742
ZINC000018197536
ZINC18197536
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