Vitas-M small molecule compound

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

Catalog ID
STK333271
SMILES O=C1CC(C)(C)CC2=C1C(c1cccs1)c1c(N2)[nH]nc1O

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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 C16H17N3O2S MW 315.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O2S/c1-16(2)6-8-11(9(20)7-16)12(10-4-3-5-22-10)13-14(17-8)18-19-15(13)21/h3-5,12H,6-7H2,1-2H3,(H3,17,18,19,21)
InChIKey
JHEQPFRSJYHRMW-UHFFFAOYSA-N
Synonyms

3hydroxy77dimethyl4(thiophen2yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
77dimethyl4thiophen2yl124689hexahydropyrazolo(34b)quinoline35dione
CC1(CC2=C(C(C3=C(N2)NNC3=O)C4=CC=CS4)C(=O)C1)C
InChI=1SC16H17N3O2Sc116(2)6811(9(20)716)12(104352210)1314(178)181915(13)21h3512H67H212H3(H317181921)
MFCD09962939
O=C1CC(C)(C)CC2=C1C(c1cccs1)c1c(N2)(nH)nc1O
ZINC000012347842
ZINC000012347852

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Available files

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