Vitas-M small molecule compound
4-chloro-1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Catalog ID
STK302521
SMILES O=C(c1nn(c(c1Cl)C(F)(F)F)C)Nn1c(C)nc2c(c1=O)c1CCCCc1s2
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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 C17H15ClF3N5O2S MW 445.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClF3N5O2S/c1-7-22-15-10(8-5-3-4-6-9(8)29-15)16(28)26(7)24-14(27)12-11(18)13(17(19,20)21)25(2)23-12/h3-6H2,1-2H3,(H,24,27)InChIKey
SECOBUHEJPBJEB-UHFFFAOYSA-NSynonyms
512826-23-24chloro1methylN(2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)5(trifluoromethyl)1Hpyrazole3carboxamide
4chloro1methylN(2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)5(trifluoromethyl)pyrazole3carboxamide
512826232
CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)C4=NN(C(=C4Cl)C(F)(F)F)C
InChI=1SC17H15ClF3N5O2Sc17221510(853469(8)2915)16(28)26(7)2414(27)1211(18)13(17(1920)21)25(2)2312h36H212H3(H2427)
MFCD03468779
ZINC000000653074
ZINC00653074
ZINC653074
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