Vitas-M small molecule compound
(4S,7S)-4-(4-hydroxy-3,5-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
STK334796
SMILES COc1cc(cc(c1O)OC)[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 C28H25N3O5S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O5S/c1-35-20-13-16(14-21(36-2)26(20)33)23-24-18(11-15(12-19(24)32)22-9-6-10-37-22)29-27-25(23)28(34)31(30-27)17-7-4-3-5-8-17/h3-10,13-15,23,29-30,33H,11-12H2,1-2H3/t15-,23-/m0/s1InChIKey
IXKABPZTJORERV-WNSKOXEYSA-NSynonyms
(4S7S)4(4hydroxy35dimethoxyphenyl)2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)4(4hydroxy35dimethoxyphenyl)2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
COC1=CC(=CC(=C1O)OC)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)N(N5)C6=CC=CC=C6
COc1cc(cc(c1O)OC)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(=O)n((nH)2)c1ccccc1
InChI=1SC28H25N3O5Sc135201316(1421(362)26(20)33)232418(1115(1219(24)32)2296103722)292725(23)28(34)31(3027)177435817h310131523293033H1112H212H3t1523m0s1
MFCD13368745
ZINC000018197540
ZINC18197540
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