Vitas-M small molecule compound
(4S,7S)-7-(3,4-dimethoxyphenyl)-4-(3-methylthiophen-2-yl)-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK335284
SMILES COc1cc(ccc1OC)[C@H]1CC2=C(C(=O)C1)[C@@H](c1c(N2)[nH]n(c1=O)c1ccccc1)c1sccc1C
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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 C29H27N3O4S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S/c1-16-11-12-37-27(16)25-24-20(30-28-26(25)29(34)32(31-28)19-7-5-4-6-8-19)13-18(14-21(24)33)17-9-10-22(35-2)23(15-17)36-3/h4-12,15,18,25,30-31H,13-14H2,1-3H3/t18-,25-/m0/s1InChIKey
BMDZHRUFEDMYPY-BVZFJXPGSA-NSynonyms
(4S7S)7(34dimethoxyphenyl)4(3methylthiophen2yl)2phenyl146789hexahydropyrazolo(34b)quinoline35dione
(4S7S)7(34dimethoxyphenyl)4(3methylthiophen2yl)2phenyl4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
CC1=C(SC=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=C2C(=O)N(N5)C6=CC=CC=C6
COc1cc(ccc1OC)(C@H)1CC2=C(C(=O)C1)(C@@H)(c1c(N2)(nH)n(c1=O)c1ccccc1)c1sccc1C
InChI=1SC29H27N3O4Sc11611123727(16)252420(302826(25)29(34)32(3128)197546819)1318(1421(24)33)1791022(352)23(1517)363h4121518253031H1314H213H3t1825m0s1
MFCD13368793
ZINC000018198575
ZINC18198575
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