Vitas-M small molecule compound
3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)propanamide
Catalog ID
STK303748
SMILES O=C(Nn1c(C)nc2c(c1=O)c1CCCc1s2)CCn1nc(c(c1C)Br)C(F)(F)F
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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 C18H17BrF3N5O2S MW 504.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrF3N5O2S/c1-8-14(19)15(18(20,21)22)25-26(8)7-6-12(28)24-27-9(2)23-16-13(17(27)29)10-4-3-5-11(10)30-16/h3-7H2,1-2H3,(H,24,28)InChIKey
DFVGTLRKLPROPE-UHFFFAOYSA-NSynonyms
1005627-13-31005627133
3(4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)N(2methyl4oxo67dihydro4Hcyclopenta(45)thieno(23d)pyrimidin3(5H)yl)propanamide
3(4bromo5methyl3(trifluoromethyl)pyrazol1yl)N(3methyl1oxo78dihydro6Hcyclopenta(23)thieno(24d)pyrimidin2yl)propanamide
CC1=C(C(=NN1CCC(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CCC4)C)C(F)(F)F)Br
InChI=1SC18H17BrF3N5O2Sc1814(19)15(18(2021)22)2526(8)7612(28)24279(2)231613(17(27)29)1043511(10)3016h37H212H3(H2428)
MFCD04044642
ZINC000002778299
ZINC02778299
ZINC2778299
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