Vitas-M small molecule compound
ethyl 2-[({7-[chloro(difluoro)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl}carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK340427
SMILES CCOC(=O)c1c(NC(=O)c2cc3n(n2)c(cc(n3)c2ccco2)C(Cl)(F)F)sc2c1CCCCC2
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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 C24H21ClF2N4O4S MW 534.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClF2N4O4S/c1-2-34-23(33)20-13-7-4-3-5-9-17(13)36-22(20)29-21(32)15-12-19-28-14(16-8-6-10-35-16)11-18(24(25,26)27)31(19)30-15/h6,8,10-12H,2-5,7,9H2,1H3,(H,29,32)InChIKey
RDPUKQKHHGYDLR-UHFFFAOYSA-NSynonyms
442671-81-0442671810
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CO5)C(F)(F)Cl
ethyl2(((7(chloro(difluoro)methyl)5(furan2yl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((7(chloro(difluoro)methyl)5(furan2yl)pyrazolo(15a)pyrimidine2carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC24H21ClF2N4O4Sc123423(33)20137435917(13)3622(20)2921(32)1512192814(1686103516)1118(24(2526)27)31(19)3015h681012H2579H21H3(H2932)
MFCD03408340
ZINC000003620461
ZINC3620461
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