Vitas-M small molecule compound

N-(2-{(2E)-2-[(2-chloro-7-methoxyquinolin-3-yl)methylidene]hydrazinyl}-2-oxoethyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide (non-preferred name)

Catalog ID
STK977748
SMILES COc1ccc2c(c1)nc(c(c2)/C=N/NC(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)F)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 C26H22ClFN4O4S MW 541.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClFN4O4S/c1-17-3-11-23(12-4-17)37(34,35)32(21-8-6-20(28)7-9-21)16-25(33)31-29-15-19-13-18-5-10-22(36-2)14-24(18)30-26(19)27/h3-15H,16H2,1-2H3,(H,31,33)/b29-15+
InChIKey
GMHULVOURZQKDT-WKULSOCRSA-N
Synonyms

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=C(N=C3C=C(C=CC3=C2)OC)Cl)C4=CC=C(C=C4)F
COc1ccc2c(c1)nc(c(c2)C=NNC(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)F)Cl
InChI=1SC26H22ClFN4O4Sc11731123(12417)37(3435)32(218620(28)7921)1625(33)31291519131851022(362)1424(18)3026(19)27h315H16H212H3(H3133)b2915+
MFCD02807154
N((1E)2(2CHLORO7METHOXY(3QUINOLYL))1AZAVINYL)2((4FLUOROPHENYL)((4METHYLPHENYL)SULFONYL)AMINO)ACETAMIDE
N((E)(2chloro7methoxyquinolin3yl)methylideneamino)2(4fluoroN(4methylphenyl)sulfonylanilino)acetamide
N(2((2E)2((2chloro7methoxyquinolin3yl)methylidene)hydrazinyl)2oxoethyl)N(4fluorophenyl)4methylbenzenesulfonamide(nonpreferredname)
ZINC000059647290
ZINC102960679

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.