Vitas-M small molecule compound
3-chloro-N'-{(E)-[3-({[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-6-methyl-1-benzothiophene-2-carbohydrazide
Catalog ID
STK465474
SMILES COc1ccc(cc1CSc1nc(C)cc(n1)C(F)F)/C=N/NC(=O)c1sc2c(c1Cl)ccc(c2)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 C25H21ClF2N4O2S2 MW 547.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClF2N4O2S2/c1-13-4-6-17-20(8-13)36-22(21(17)26)24(33)32-29-11-15-5-7-19(34-3)16(10-15)12-35-25-30-14(2)9-18(31-25)23(27)28/h4-11,23H,12H2,1-3H3,(H,32,33)/b29-11+InChIKey
MTRFRCWJTIFIEG-VPUKRXIYSA-NSynonyms
3chloroN((E)(3(((4(difluoromethyl)6methylpyrimidin2yl)sulfanyl)methyl)4methoxyphenyl)methylidene)6methyl1benzothiophene2carbohydrazide
3chloroN((E)(3((4(difluoromethyl)6methylpyrimidin2yl)sulfanylmethyl)4methoxyphenyl)methylideneamino)6methyl1benzothiophene2carboxamide
CC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=CC3=CC(=C(C=C3)OC)CSC4=NC(=CC(=N4)C(F)F)C)Cl
COc1ccc(cc1CSc1nc(C)cc(n1)C(F)F)C=NNC(=O)c1sc2c(c1Cl)ccc(c2)C
InChI=1SC25H21ClF2N4O2S2c113461720(813)3622(21(17)26)24(33)322911155719(343)16(1015)1235253014(2)918(3125)23(27)28h41123H12H213H3(H3233)b2911+
MFCD06758366
N((1E)2(3((4(DIFLUOROMETHYL)6METHYLPYRIMIDIN2YLTHIO)METHYL)4METHOXYPHENYL)1AZAVINYL)(3CHLORO6METHYLBENZO(B)THIOPHEN2YL)CARBOXAMIDE
ZINC000097965684
ZINC102326762
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