Vitas-M small molecule compound

N-(4-chloro-2-methylphenyl)-N-(2-oxo-2-{(2E)-2-[4-(thietan-3-yloxy)benzylidene]hydrazinyl}ethyl)methanesulfonamide (non-preferred name)

Catalog ID
STL280660
SMILES O=C(CN(S(=O)(=O)C)c1ccc(cc1C)Cl)N/N=C/c1ccc(cc1)OC1CSC1

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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 C20H22ClN3O4S2 MW 468.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O4S2/c1-14-9-16(21)5-8-19(14)24(30(2,26)27)11-20(25)23-22-10-15-3-6-17(7-4-15)28-18-12-29-13-18/h3-10,18H,11-13H2,1-2H3,(H,23,25)/b22-10+
InChIKey
DQRSFNSFRNXMTL-LSHDLFTRSA-N
Synonyms

2(4CHLORO2METHYLNMETHYLSULFONYLANILINO)N((E)(4(THIETAN3YLOXY)PHENYL)METHYLIDENEAMINO)ACETAMIDE
CC1=C(C=CC(=C1)Cl)N(CC(=O)NN=CC2=CC=C(C=C2)OC3CSC3)S(=O)(=O)C
InChI=1SC20H22ClN3O4S2c114916(21)5819(14)24(30(226)27)1120(25)232210153617(7415)281812291318h31018H1113H212H3(H2325)b2210+
MFCD02806536
N((1E)2(4THIETAN3YLOXYPHENYL)1AZAVINYL)2((4CHLORO2METHYLPHENYL)(METHYLSULFONYL)AMINO)ACETAMIDE
N(4chloro2methylphenyl)N(2oxo2((2E)2(4(thietan3yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide(nonpreferredname)
N(4CHLORO2METHYLPHENYL)N(2OXO2(2(4(3THIETANYLOXY)BENZYLIDENE)HYDRAZINO)ETHYL)METHANESULFONAMIDE
O=C(CN(S(=O)(=O)C)c1ccc(cc1C)Cl)NN=Cc1ccc(cc1)OC1CSC1
ZINC000002174560
ZINC33349577

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Available files

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