Vitas-M small molecule compound
(4S,7S)-4-(3-hydroxy-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
STK334791
SMILES COc1ccc(cc1O)[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 C27H23N3O4S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4S/c1-34-21-10-9-15(13-19(21)31)23-24-18(12-16(14-20(24)32)22-8-5-11-35-22)28-26-25(23)27(33)30(29-26)17-6-3-2-4-7-17/h2-11,13,16,23,28-29,31H,12,14H2,1H3/t16-,23-/m0/s1InChIKey
LAFZSDARUXXRKZ-HJPURHCSSA-NSynonyms
(4S7S)4(3hydroxy4methoxyphenyl)2phenyl7(thiophen2yl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)4(3hydroxy4methoxyphenyl)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)O
COc1ccc(cc1O)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(=O)n((nH)2)c1ccccc1
InChI=1SC27H23N3O4Sc1342110915(1319(21)31)232418(1216(1420(24)32)2285113522)282625(23)27(33)30(2926)176324717h211131623282931H1214H21H3t1623m0s1
MFCD13368740
ZINC000018197534
ZINC18197534
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