Vitas-M small molecule compound
(4S,7S)-4-(4-hydroxyphenyl)-2-phenyl-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334414
SMILES Oc1ccc(cc1)[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 C26H21N3O3S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O3S/c30-18-10-8-15(9-11-18)22-23-19(13-16(14-20(23)31)21-7-4-12-33-21)27-25-24(22)26(32)29(28-25)17-5-2-1-3-6-17/h1-12,16,22,27-28,30H,13-14H2/t16-,22-/m0/s1InChIKey
IRULCXRLVANXRA-AOMKIAJQSA-NSynonyms
(4S7S)4(4hydroxyphenyl)2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)4(4hydroxyphenyl)2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=C(C=C4)O)C(=O)N(N3)C5=CC=CC=C5)C6=CC=CS6
InChI=1SC26H21N3O3Sc301810815(91118)222319(1316(1420(23)31)2174123321)272524(22)26(32)29(2825)175213617h1121622272830H1314H2t1622m0s1
MFCD13368700
Oc1ccc(cc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(=O)n((nH)2)c1ccccc1
ZINC000018197077
ZINC18197077
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