Vitas-M small molecule compound
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK448392
SMILES Sc1nc2sc3c(c2c(=O)n1c1c(C)n(n(c1=O)c1ccccc1)C)CCC3
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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 C20H18N4O2S2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S2/c1-11-16(19(26)24(22(11)2)12-7-4-3-5-8-12)23-18(25)15-13-9-6-10-14(13)28-17(15)21-20(23)27/h3-5,7-8H,6,9-10H2,1-2H3,(H,21,27)InChIKey
VTVVRDVJMAOSNW-UHFFFAOYSA-NSynonyms
2(15dimethyl3oxo2phenylpyrazol4yl)3sulfanylidene4678tetrahydrocyclopenta(23)thieno(24b)pyrimidin1one
3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2sulfanyl3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin4one
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(NC3=S)SC5=C4CCC5
InChI=1SC20H18N4O2S2c11116(19(26)24(22(11)2)127435812)2318(25)1513961014(13)2817(15)2120(23)27h3578H6910H212H3(H2127)
MFCD04141275
ZINC000017088568
ZINC17088568
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