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-ethyl-1H-pyrazole-5-carboxamide
Catalog ID
STL395170
SMILES CCn1ncc(c1C(=O)Nn1c(C)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C)Cl
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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/c1-6-26-17(14(22)10-23-26)18(28)25-27-11(2)24-19-16(20(27)29)13-8-7-12(21(3,4)5)9-15(13)30-19/h10,12H,6-9H2,1-5H3,(H,25,28)InChIKey
PAWLMLRDBVRFOK-UHFFFAOYSA-NSynonyms
1005684-38-71005684387
CCN1C(=C(C=N1)Cl)C(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CC(CC4)C(C)(C)C)C
InChI=1SC21H26ClN5O2Sc162617(14(22)102326)18(28)252711(2)241916(20(27)29)138712(21(34)5)915(13)3019h1012H69H215H3(H2528)
MFCD04043356
N(7tertbutyl2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)4chloro1ethyl1Hpyrazole5carboxamide
N(7tertbutyl2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)4chloro2ethylpyrazole3carboxamide
ZINC000002778496
ZINC000002778497
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