Vitas-M small molecule compound
3-chloro-N'-{(E)-[3-({[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-6-ethyl-1-benzothiophene-2-carbohydrazide
Catalog ID
STK465580
SMILES CCc1ccc2c(c1)sc(c2Cl)C(=O)N/N=C/c1ccc(c(c1)CSc1nc(C)cc(n1)C(F)F)OC
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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 C26H23ClF2N4O2S2 MW 561.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClF2N4O2S2/c1-4-15-5-7-18-21(11-15)37-23(22(18)27)25(34)33-30-12-16-6-8-20(35-3)17(10-16)13-36-26-31-14(2)9-19(32-26)24(28)29/h5-12,24H,4,13H2,1-3H3,(H,33,34)/b30-12+InChIKey
AXTWRUNMJALUPE-PNQUVVCRSA-NSynonyms
3chloroN((E)(3(((4(difluoromethyl)6methylpyrimidin2yl)sulfanyl)methyl)4methoxyphenyl)methylidene)6ethyl1benzothiophene2carbohydrazide
3chloroN((E)(3((4(difluoromethyl)6methylpyrimidin2yl)sulfanylmethyl)4methoxyphenyl)methylideneamino)6ethyl1benzothiophene2carboxamide
CCC1=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
CCc1ccc2c(c1)sc(c2Cl)C(=O)NN=Cc1ccc(c(c1)CSc1nc(C)cc(n1)C(F)F)OC
InChI=1SC26H23ClF2N4O2S2c1415571821(1115)3723(22(18)27)25(34)333012166820(353)17(1016)1336263114(2)919(3226)24(28)29h51224H413H213H3(H3334)b3012+
MFCD06761436
N((1E)2(3((4(DIFLUOROMETHYL)6METHYLPYRIMIDIN2YLTHIO)METHYL)4METHOXYPHENYL)1AZAVINYL)(3CHLORO6ETHYLBENZO(B)THIOPHEN2YL)CARBOXAMIDE
ZINC000097965687
ZINC102326964
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