Vitas-M small molecule compound
N'-{(E)-[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]methylidene}-1-[(4-methoxyphenyl)sulfonyl]piperidine-4-carbohydrazide
Catalog ID
STK476996
SMILES COc1ccc(cc1CSc1nc(cc(c1C#N)C)C(F)(F)F)/C=N/NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)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 C30H30F3N5O5S2 MW 661.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30F3N5O5S2/c1-19-14-27(30(31,32)33)36-29(25(19)16-34)44-18-22-15-20(4-9-26(22)43-3)17-35-37-28(39)21-10-12-38(13-11-21)45(40,41)24-7-5-23(42-2)6-8-24/h4-9,14-15,17,21H,10-13,18H2,1-3H3,(H,37,39)/b35-17+InChIKey
CRAOLVXZMZQPPM-XJECJHNESA-NSynonyms
CC1=CC(=NC(=C1C#N)SCC2=C(C=CC(=C2)C=NNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC)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)OC
InChI=1SC30H30F3N5O5S2c1191427(30(3132)33)3629(25(19)1634)4418221520(4926(22)433)17353728(39)21101238(131121)45(4041)247523(422)6824h4914151721H101318H213H3(H3739)b3517+
MFCD07757174
N((1E)2(3((3CYANO4METHYL6(TRIFLUOROMETHYL)(2PYRIDYLTHIO))METHYL)4METHOXYPHENYL)1AZAVINYL)(1((4METHOXYPHENYL)SULFONYL)(4PIPERIDYL))CARBOXAMIDE
N((E)(3(((3cyano4methyl6(trifluoromethyl)pyridin2yl)sulfanyl)methyl)4methoxyphenyl)methylidene)1((4methoxyphenyl)sulfonyl)piperidine4carbohydrazide
N((E)(3((3cyano4methyl6(trifluoromethyl)pyridin2yl)sulfanylmethyl)4methoxyphenyl)methylideneamino)1(4methoxyphenyl)sulfonylpiperidine4carboxamide
ZINC000097965852
ZINC150667946
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