Vitas-M small molecule compound
N'-{(E)-[3-({[3-cyano-4-phenyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-3,4,5-triethoxybenzohydrazide
Catalog ID
STK480616
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)N/N=C/c1ccc(c(c1)CSc1nc(cc(c1C#N)c1ccccc1)C(F)(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 C35H33F3N4O5S MW 678.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33F3N4O5S/c1-5-45-29-16-24(17-30(46-6-2)32(29)47-7-3)33(43)42-40-20-22-13-14-28(44-4)25(15-22)21-48-34-27(19-39)26(23-11-9-8-10-12-23)18-31(41-34)35(36,37)38/h8-18,20H,5-7,21H2,1-4H3,(H,42,43)/b40-20+InChIKey
ODRNPBDUZPRNGM-KPRPFPDJSA-NSynonyms
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN=CC2=CC(=C(C=C2)OC)CSC3=C(C(=CC(=N3)C(F)(F)F)C4=CC=CC=C4)C#N
CCOc1cc(cc(c1OCC)OCC)C(=O)NN=Cc1ccc(c(c1)CSc1nc(cc(c1C#N)c1ccccc1)C(F)(F)F)OC
InChI=1SC35H33F3N4O5Sc1545291624(1730(4662)32(29)4773)33(43)42402022131428(444)25(1522)21483427(1939)26(231198101223)1831(4134)35(3637)38h81820H5721H214H3(H4243)b4020+
MFCD08723906
N((1E)2(3((3CYANO4PHENYL6(TRIFLUOROMETHYL)(2PYRIDYLTHIO))METHYL)4METHOXYPHENYL)1AZAVINYL)(345TRIETHOXYPHENYL)CARBOXAMIDE
N((E)(3(((3cyano4phenyl6(trifluoromethyl)pyridin2yl)sulfanyl)methyl)4methoxyphenyl)methylidene)345triethoxybenzohydrazide
N((E)(3((3cyano4phenyl6(trifluoromethyl)pyridin2yl)sulfanylmethyl)4methoxyphenyl)methylideneamino)345triethoxybenzamide
ZINC000097965869
ZINC150667960
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