Vitas-M small molecule compound
3-chloro-N'-{(E)-[3-({[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-6-ethyl-1-benzothiophene-2-carbohydrazide
Catalog ID
STK452579
SMILES COc1ccc(cc1CSc1nc(cc(c1C#N)C)C(F)F)/C=N/NC(=O)c1sc2c(c1Cl)ccc(c2)CC
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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 C28H23ClF2N4O2S2 MW 585.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClF2N4O2S2/c1-4-16-5-7-19-23(11-16)39-25(24(19)29)27(36)35-33-13-17-6-8-22(37-3)18(10-17)14-38-28-20(12-32)15(2)9-21(34-28)26(30)31/h5-11,13,26H,4,14H2,1-3H3,(H,35,36)/b33-13+InChIKey
JONIOUDSUAATPX-IIHBXENTSA-NSynonyms
3chloroN((E)(3(((3cyano6(difluoromethyl)4methylpyridin2yl)sulfanyl)methyl)4methoxyphenyl)methylidene)6ethyl1benzothiophene2carbohydrazide
3CHLORON((E)(3((3CYANO6(DIFLUOROMETHYL)4METHYLPYRIDIN2YL)SULFANYLMETHYL)4METHOXYPHENYL)METHYLIDENEAMINO)6ETHYL1BENZOTHIOPHENE2CARBOXAMIDE
3CHLORON(3(((3CYANO6(DIFLUOROMETHYL)4METHYL2PYRIDINYL)SULFANYL)METHYL)4METHOXYBENZYLIDENE)6ETHYL1BENZOTHIOPHENE2CARBOHYDRAZIDE
CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=CC3=CC(=C(C=C3)OC)CSC4=C(C(=CC(=N4)C(F)F)C)C#N)Cl
COc1ccc(cc1CSc1nc(cc(c1C#N)C)C(F)F)C=NNC(=O)c1sc2c(c1Cl)ccc(c2)CC
InChI=1SC28H23ClF2N4O2S2c1416571923(1116)3925(24(19)29)27(36)353313176822(373)18(1017)14382820(1232)15(2)921(3428)26(30)31h5111326H414H213H3(H3536)b3313+
MFCD02606911
N((1E)2(3((6(DIFLUOROMETHYL)3CYANO4METHYL(2PYRIDYLTHIO))METHYL)4METHOXYPHENYL)1AZAVINYL)(3CHLORO6ETHYLBENZO(B)THIOPHEN2YL)CARBOXAMIDE
ZINC000008456171
ZINC102304101
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