Vitas-M small molecule compound

3-hydroxy-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one

Catalog ID
STK358689
SMILES COc1c(OC)cc(cc1OC)C1C2=C(CC(CC2=O)c2cccs2)Nc2c1c(O)n[nH]2

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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 C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-29-15-9-12(10-16(30-2)21(15)31-3)18-19-13(24-22-20(18)23(28)26-25-22)7-11(8-14(19)27)17-5-4-6-32-17/h4-6,9-11,18H,7-8H2,1-3H3,(H3,24,25,26,28)
InChIKey
SSGVCCSCIBRJAP-UHFFFAOYSA-N
Synonyms

3hydroxy7(thiophen2yl)4(345trimethoxyphenyl)146789hexahydro5Hpyrazolo(34b)quinolin5one
7thiophen2yl4(345trimethoxyphenyl)246789hexahydro1Hpyrazolo(34b)quinoline35dione
COC1=CC(=CC(=C1OC)OC)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=C2C(=O)NN5
COc1c(OC)cc(cc1OC)C1C2=C(CC(CC2=O)c2cccs2)Nc2c1c(O)n(nH)2
InChI=1SC23H23N3O5Sc12915912(1016(302)21(15)313)181913(242220(18)23(28)262522)711(814(19)27)175463217h4691118H78H213H3(H324252628)
MFCD11852174
ZINC000020102577
ZINC000020102583

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Available files

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