Vitas-M small molecule compound
(4S,7S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenyl-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334790
SMILES COc1cc(cc(c1O)[N+](=O)[O-])[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 C27H22N4O6S MW 530.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O6S/c1-37-20-13-15(11-18(25(20)33)31(35)36)22-23-17(10-14(12-19(23)32)21-8-5-9-38-21)28-26-24(22)27(34)30(29-26)16-6-3-2-4-7-16/h2-9,11,13-14,22,28-29,33H,10,12H2,1H3/t14-,22-/m0/s1InChIKey
WSVOPHVIVLYTPP-FPTDNZKUSA-NSynonyms
(4S7S)4(4hydroxy3methoxy5nitrophenyl)2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)4(4hydroxy3methoxy5nitrophenyl)2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
COC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)N(N5)C6=CC=CC=C6
COc1cc(cc(c1O)(N+)(=O)(O))(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(=O)n((nH)2)c1ccccc1
InChI=1SC27H22N4O6Sc137201315(1118(25(20)33)31(35)36)222317(1014(1219(23)32)218593821)282624(22)27(34)30(2926)166324716h2911131422282933H1012H21H3t1422m0s1
MFCD13368739
ZINC000102050774
ZINC102050774
Check stock
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Check stock on Vitas-MAvailable files
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