Vitas-M small molecule compound

N-(2-methoxy-5-methylphenyl)-N-(2-oxo-2-{(2E)-2-[4-(thietan-3-yloxy)benzylidene]hydrazinyl}ethyl)methanesulfonamide (non-preferred name)

Catalog ID
STL302225
SMILES COc1ccc(cc1N(S(=O)(=O)C)CC(=O)N/N=C/c1ccc(cc1)OC1CSC1)C

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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 C21H25N3O5S2 MW 463.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5S2/c1-15-4-9-20(28-2)19(10-15)24(31(3,26)27)12-21(25)23-22-11-16-5-7-17(8-6-16)29-18-13-30-14-18/h4-11,18H,12-14H2,1-3H3,(H,23,25)/b22-11+
InChIKey
JIDWSUGTBPKYGG-SSDVNMTOSA-N
Synonyms
592468-76-3
(E)N(2methoxy5methylphenyl)N(2oxo2(2(4(thietan3yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide
2(2METHOXY5METHYLNMETHYLSULFONYLANILINO)N((E)(4(THIETAN3YLOXY)PHENYL)METHYLIDENEAMINO)ACETAMIDE
592468763
CC1=CC(=C(C=C1)OC)N(CC(=O)NN=CC2=CC=C(C=C2)OC3CSC3)S(=O)(=O)C
COc1ccc(cc1N(S(=O)(=O)C)CC(=O)NN=Cc1ccc(cc1)OC1CSC1)C
InChI=1SC21H25N3O5S2c1154920(282)19(1015)24(31(326)27)1221(25)232211165717(8616)291813301418h41118H1214H213H3(H2325)b2211+
MFCD02807078
N((1E)2(4THIETAN3YLOXYPHENYL)1AZAVINYL)2((2METHOXY5METHYLPHENYL)(METHYLSULFONYL)AMINO)ACETAMIDE
N(2methoxy5methylphenyl)N(2oxo2((2E)2(4(thietan3yloxy)benzylidene)hydrazinyl)ethyl)methanesulfonamide(nonpreferredname)
ZINC000002392732
ZINC33364877

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Available files

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