Vitas-M small molecule compound
(4S,7S)-4-[3-(benzyloxy)-4-methoxyphenyl]-2-phenyl-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334837
SMILES COc1ccc(cc1OCc1ccccc1)[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 C34H29N3O4S MW 575.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29N3O4S/c1-40-27-15-14-22(19-28(27)41-20-21-9-4-2-5-10-21)30-31-25(17-23(18-26(31)38)29-13-8-16-42-29)35-33-32(30)34(39)37(36-33)24-11-6-3-7-12-24/h2-16,19,23,30,35-36H,17-18,20H2,1H3/t23-,30-/m0/s1InChIKey
OMCCKBVLAGHMPL-JHOBJCJYSA-NSynonyms
(4S7S)4(3(benzyloxy)4methoxyphenyl)2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)4(4methoxy3phenylmethoxyphenyl)2phenyl7thiophen2yl146789hexahydropyrazolo(34b)quinoline35dione
COC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)N(N5)C6=CC=CC=C6)OCC7=CC=CC=C7
COc1ccc(cc1OCc1ccccc1)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(=O)n((nH)2)c1ccccc1
InChI=1SC34H29N3O4Sc14027151422(1928(27)41202194251021)303125(1723(1826(31)38)29138164229)353332(30)34(39)37(3633)24116371224h2161923303536H171820H21H3t2330m0s1
MFCD13368758
ZINC000102051024
ZINC102051024
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