Vitas-M small molecule compound
1-[(4-chlorophenyl)sulfonyl]-N'-{(E)-[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}piperidine-4-carbohydrazide
Catalog ID
STK476997
SMILES COc1ccc(cc1CSc1nc(cc(c1C#N)C)C(F)(F)F)/C=N/NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl
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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 C29H27ClF3N5O4S2 MW 666.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClF3N5O4S2/c1-18-13-26(29(31,32)33)36-28(24(18)15-34)43-17-21-14-19(3-8-25(21)42-2)16-35-37-27(39)20-9-11-38(12-10-20)44(40,41)23-6-4-22(30)5-7-23/h3-8,13-14,16,20H,9-12,17H2,1-2H3,(H,37,39)/b35-16+InChIKey
LKHYNSGUOXSUND-QNVXDBMFSA-NSynonyms
1((4chlorophenyl)sulfonyl)N((E)(3(((3cyano4methyl6(trifluoromethyl)pyridin2yl)sulfanyl)methyl)4methoxyphenyl)methylidene)piperidine4carbohydrazide
1(4chlorophenyl)sulfonylN((E)(3((3cyano4methyl6(trifluoromethyl)pyridin2yl)sulfanylmethyl)4methoxyphenyl)methylideneamino)piperidine4carboxamide
CC1=CC(=NC(=C1C#N)SCC2=C(C=CC(=C2)C=NNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)OC)C(F)(F)F
COc1ccc(cc1CSc1nc(cc(c1C#N)C)C(F)(F)F)C=NNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl
InChI=1SC29H27ClF3N5O4S2c1181326(29(3132)33)3628(24(18)1534)4317211419(3825(21)422)16353727(39)2091138(121020)44(4041)236422(30)5723h3813141620H91217H212H3(H3739)b3516+
MFCD07757175
N((1E)2(3((3CYANO4METHYL6(TRIFLUOROMETHYL)(2PYRIDYLTHIO))METHYL)4METHOXYPHENYL)1AZAVINYL)(1((4CHLOROPHENYL)SULFONYL)(4PIPERIDYL))CARBOXAMIDE
ZINC000097965853
ZINC150670531
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