Vitas-M small molecule compound
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
Catalog ID
STK303920
SMILES O=C(Nn1c(C)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C)Cn1nc(c(c1C)Cl)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 C22H25ClF3N5O2S MW 515.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClF3N5O2S/c1-10-17(23)18(22(24,25)26)29-30(10)9-15(32)28-31-11(2)27-19-16(20(31)33)13-7-6-12(21(3,4)5)8-14(13)34-19/h12H,6-9H2,1-5H3,(H,28,32)InChIKey
OGWUJYKFKPIYAZ-UHFFFAOYSA-NSynonyms
1005694-35-81005694358
CC1=C(C(=NN1CC(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CC(CC4)C(C)(C)C)C)C(F)(F)F)Cl
InChI=1SC22H25ClF3N5O2Sc11017(23)18(22(2425)26)2930(10)915(32)283111(2)271916(20(31)33)137612(21(34)5)814(13)3419h12H69H215H3(H2832)
MFCD04045854
N(7tertbutyl2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)2(4chloro5methyl3(trifluoromethyl)1Hpyrazol1yl)acetamide
N(7tertbutyl2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)2(4chloro5methyl3(trifluoromethyl)pyrazol1yl)acetamide
ZINC000002778867
ZINC000002778868
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