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)-4-chloro-1,5-dimethyl-1H-pyrazole-3-carboxamide
Catalog ID
STK303454
SMILES O=C(c1nn(c(c1Cl)C)C)Nn1c(C)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C
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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 C21H26ClN5O2S MW 447.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClN5O2S/c1-10-16(22)17(24-26(10)6)18(28)25-27-11(2)23-19-15(20(27)29)13-8-7-12(21(3,4)5)9-14(13)30-19/h12H,7-9H2,1-6H3,(H,25,28)InChIKey
ODPPRBZUQCFFGS-UHFFFAOYSA-NSynonyms
1005584-31-51005584315
CC1=C(C(=NN1C)C(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CC(CC4)C(C)(C)C)C)Cl
InChI=1SC21H26ClN5O2Sc11016(22)17(2426(10)6)18(28)252711(2)231915(20(27)29)138712(21(34)5)914(13)3019h12H79H216H3(H2528)
MFCD04043880
N(7tertbutyl2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)4chloro15dimethyl1Hpyrazole3carboxamide
N(7tertbutyl2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)4chloro15dimethylpyrazole3carboxamide
ZINC000002776961
ZINC000002776962
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