Vitas-M small molecule compound
ethyl 2-({[3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}amino)-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carboxylate
Catalog ID
STL405318
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c3c2CCC3)C(F)F)sc2c1C1CCN2CC1
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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 C21H24F2N4O3S MW 450.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24F2N4O3S/c1-2-30-21(29)16-15-11-6-8-26(9-7-11)20(15)31-19(16)24-14(28)10-27-13-5-3-4-12(13)17(25-27)18(22)23/h11,18H,2-10H2,1H3,(H,24,28)InChIKey
RSOVNCZHGYIYTC-UHFFFAOYSA-NSynonyms
938015-37-3938015373
CCOC(=O)C1=C(SC2=C1C3CCN2CC3)NC(=O)CN4C5=C(CCC5)C(=N4)C(F)F
ethyl2(((3(difluoromethyl)56dihydrocyclopenta(c)pyrazol1(4H)yl)acetyl)amino)56dihydro4H47ethanothieno(23b)pyridine3carboxylate
InChI=1SC21H24F2N4O3Sc123021(29)1615116826(9711)20(15)3119(16)2414(28)10271353412(13)17(2527)18(22)23h1118H210H21H3(H2428)
MFCD08556083
ZINC000101564730
ZINC101564730
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