Vitas-M small molecule compound
3-hydroxy-7,7-dimethyl-4-(thiophen-3-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Catalog ID
STK333459
SMILES O=C1CC(C)(C)CC2=C1C(c1ccsc1)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)5-9-12(10(20)6-16)11(8-3-4-22-7-8)13-14(17-9)18-19-15(13)21/h3-4,7,11H,5-6H2,1-2H3,(H3,17,18,19,21)InChIKey
CAHAKAMUZXKJFV-UHFFFAOYSA-NSynonyms
3hydroxy77dimethyl4(thiophen3yl)146789hexahydro5Hpyrazolo(34b)quinolin5one
77dimethyl4thiophen3yl124689hexahydropyrazolo(34b)quinoline35dione
CC1(CC2=C(C(C3=C(N2)NNC3=O)C4=CSC=C4)C(=O)C1)C
InChI=1SC16H17N3O2Sc116(2)5912(10(20)616)11(8342278)1314(179)181915(13)21h34711H56H212H3(H317181921)
MFCD09963076
O=C1CC(C)(C)CC2=C1C(c1ccsc1)c1c(N2)(nH)nc1O
ZINC000012348671
ZINC000012348681
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