Vitas-M small molecule compound
2-[(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
STK333971
SMILES O=C1C[C@H](CC2=C1[C@H](c1ccccc1C(=O)O)c1c(N2)[nH]nc1O)c1cccs1
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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/c25-14-9-10(15-6-3-7-29-15)8-13-17(14)16(18-19(22-13)23-24-20(18)26)11-4-1-2-5-12(11)21(27)28/h1-7,10,16H,8-9H2,(H,27,28)(H3,22,23,24,26)/t10-,16-/m0/s1InChIKey
OPNUWWFFIQLRIV-QFYYESIMSA-NSynonyms
2((4R7S)3hydroxy5oxo7(thiophen2yl)456789hexahydro1Hpyrazolo(34b)quinolin4yl)benzoicacid
2((4S7S)35dioxo7thiophen2yl246789hexahydro1Hpyrazolo(34b)quinolin4yl)benzoicacid
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=CC=C4C(=O)O)C(=O)NN3)C5=CC=CS5
InChI=1SC21H17N3O4Sc2514910(156372915)81317(14)16(1819(2213)232420(18)26)11412512(11)21(27)28h171016H89H2(H2728)(H322232426)t1016m0s1
MFCD13368669
O=C1C(C@H)(CC2=C1(C@H)(c1ccccc1C(=O)O)c1c(N2)(nH)nc1O)c1cccs1
ZINC000102048140
ZINC102048140
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