Vitas-M small molecule compound
(4S,7S)-4-[3-(benzyloxy)phenyl]-2-phenyl-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334835
SMILES O=C1C[C@H](CC2=C1[C@H](c1cccc(c1)OCc1ccccc1)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 C33H27N3O3S MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27N3O3S/c37-27-19-23(28-15-8-16-40-28)18-26-30(27)29(22-11-7-14-25(17-22)39-20-21-9-3-1-4-10-21)31-32(34-26)35-36(33(31)38)24-12-5-2-6-13-24/h1-17,23,29,34-35H,18-20H2/t23-,29-/m0/s1InChIKey
IQCUWHJWBFEKLU-IADCTJSHSA-NSynonyms
(4S7S)2phenyl4(3phenylmethoxyphenyl)7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
(4S7S)4(3(benzyloxy)phenyl)2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)N(N3)C6=CC=CC=C6)C7=CC=CS7
InChI=1SC33H27N3O3Sc37271923(28158164028)182630(27)29(221171425(1722)39202193141021)3132(3426)3536(33(31)38)24125261324h11723293435H1820H2t2329m0s1
MFCD13368756
O=C1C(C@H)(CC2=C1(C@H)(c1cccc(c1)OCc1ccccc1)c1c(N2)(nH)n(c1=O)c1ccccc1)c1cccs1
ZINC000102051015
ZINC102051015
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