Vitas-M small molecule compound
4-[(4R,7S)-3-hydroxy-5-oxo-7-(thiophen-2-yl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-4-yl]benzoic acid
Catalog ID
STK333838
SMILES OC(=O)c1ccc(cc1)[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(O)n[nH]2
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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 C21H17N3O4S MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S/c25-14-9-12(15-2-1-7-29-15)8-13-17(14)16(18-19(22-13)23-24-20(18)26)10-3-5-11(6-4-10)21(27)28/h1-7,12,16H,8-9H2,(H,27,28)(H3,22,23,24,26)/t12-,16-/m0/s1InChIKey
IZEYELHDJDKOGN-LRDDRELGSA-NSynonyms
4((4R7S)3hydroxy5oxo7(thiophen2yl)456789hexahydro1Hpyrazolo(34b)quinolin4yl)benzoicacid
4((4S7S)35dioxo7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinolin4yl)benzoicacid
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=C(C=C4)C(=O)O)C(=O)NN3)C5=CC=CS5
InChI=1SC21H17N3O4Sc2514912(152172915)81317(14)16(1819(2213)232420(18)26)103511(6410)21(27)28h171216H89H2(H2728)(H322232426)t1216m0s1
MFCD13368618
OC(=O)c1ccc(cc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2
ZINC000102047740
ZINC102047740
Check stock
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