Vitas-M small molecule compound
(4S,7S)-2-phenyl-7-(thiophen-2-yl)-4-(2,3,4-trimethoxyphenyl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK334830
SMILES COc1c(ccc(c1OC)OC)[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 C29H27N3O5S MW 529.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O5S/c1-35-21-12-11-18(26(36-2)27(21)37-3)23-24-19(14-16(15-20(24)33)22-10-7-13-38-22)30-28-25(23)29(34)32(31-28)17-8-5-4-6-9-17/h4-13,16,23,30-31H,14-15H2,1-3H3/t16-,23-/m0/s1InChIKey
VVPRLQFNEPTWSB-HJPURHCSSA-NSynonyms
(4S7S)2phenyl7(thiophen2yl)4(234trimethoxyphenyl)4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
(4S7S)2phenyl7thiophen2yl4(234trimethoxyphenyl)146789hexahydropyrazolo(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)OC)OC
COc1c(ccc(c1OC)OC)(C@H)1C2=C(C(C@@H)(CC2=O)c2cccs2)Nc2c1c(=O)n((nH)2)c1ccccc1
InChI=1SC29H27N3O5Sc13521121118(26(362)27(21)373)232419(1416(1520(24)33)22107133822)302825(23)29(34)32(3128)178546917h41316233031H1415H213H3t1623m0s1
MFCD13368751
ZINC000102050999
ZINC102050999
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