Vitas-M small molecule compound
(4S,7S)-4-(3-phenoxyphenyl)-2-phenyl-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334833
SMILES O=C1C[C@H](CC2=C1[C@H](c1cccc(c1)Oc1ccccc1)c1c(N2)[nH]n(c1=O)c1ccccc1)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 C32H25N3O3S MW 531.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25N3O3S/c36-26-19-21(27-15-8-16-39-27)18-25-29(26)28(20-9-7-14-24(17-20)38-23-12-5-2-6-13-23)30-31(33-25)34-35(32(30)37)22-10-3-1-4-11-22/h1-17,21,28,33-34H,18-19H2/t21-,28-/m0/s1InChIKey
KNOAWJIWHZDSKF-KMRXNPHXSA-NSynonyms
(4S7S)4(3phenoxyphenyl)2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)4(3phenoxyphenyl)2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)N(N3)C6=CC=CC=C6)C7=CC=CS7
InChI=1SC32H25N3O3Sc36261921(27158163927)182529(26)28(20971424(1720)3823125261323)3031(3325)3435(32(30)37)22103141122h11721283334H1819H2t2128m0s1
MFCD13368754
O=C1C(C@H)(CC2=C1(C@H)(c1cccc(c1)Oc1ccccc1)c1c(N2)(nH)n(c1=O)c1ccccc1)c1cccs1
ZINC000102051008
ZINC102051008
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