Vitas-M small molecule compound
3-{2-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK303091
SMILES O=C(N1N=C(CC1(O)C(F)F)C(F)F)Cn1cnc2c(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 C17H16F4N4O3S MW 432.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F4N4O3S/c18-13(19)9-5-17(28,16(20)21)25(23-9)11(26)6-24-7-22-14-12(15(24)27)8-3-1-2-4-10(8)29-14/h7,13,16,28H,1-6H2InChIKey
BZOMDQYLECEEMD-UHFFFAOYSA-NSynonyms
675839-82-43(2(35bis(difluoromethyl)5hydroxy45dihydro1Hpyrazol1yl)2oxoethyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(2(35bis(difluoromethyl)5hydroxy4Hpyrazol1yl)2oxoethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
675839824
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CC(=O)N4C(CC(=N4)C(F)F)(C(F)F)O
InChI=1SC17H16F4N4O3Sc1813(19)9517(2816(20)21)25(239)11(26)6247221412(15(24)27)8312410(8)2914h7131628H16H2
MFCD04050040
ZINC000013958234
ZINC000013958235
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