Vitas-M small molecule compound

N-(4-{[(2E)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)hydrazinyl]carbonyl}benzyl)-N-(3,4-dimethylphenyl)methanesulfonamide

Catalog ID
STK393050
SMILES O=C(c1ccc(cc1)CN(S(=O)(=O)C)c1ccc(c(c1)C)C)N/N=C/c1cccc2c1OCCO2

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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 C26H27N3O5S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O5S/c1-18-7-12-23(15-19(18)2)29(35(3,31)32)17-20-8-10-21(11-9-20)26(30)28-27-16-22-5-4-6-24-25(22)34-14-13-33-24/h4-12,15-16H,13-14,17H2,1-3H3,(H,28,30)/b27-16+
InChIKey
ASBITFCUTLUZGM-JVWAILMASA-N
Synonyms

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NN=CC3=C4C(=CC=C3)OCCO4)S(=O)(=O)C)C
InChI=1SC26H27N3O5Sc11871223(1519(18)2)29(35(331)32)172081021(11920)26(30)282716225462425(22)3414133324h4121516H131417H213H3(H2830)b2716+
MFCD02136437
N((1E)2(2H3HBENZO(23E)14DIOXIN5YL)1AZAVINYL)(4(((34DIMETHYLPHENYL)(METHYLSULFONYL)AMINO)METHYL)PHENYL)CARBOXAMIDE
N((E)23DIHYDRO14BENZODIOXIN5YLMETHYLIDENEAMINO)4((34DIMETHYLNMETHYLSULFONYLANILINO)METHYL)BENZAMIDE
N(4(((2E)2(23dihydro14benzodioxin5ylmethylidene)hydrazinyl)carbonyl)benzyl)N(34dimethylphenyl)methanesulfonamide
O=C(c1ccc(cc1)CN(S(=O)(=O)C)c1ccc(c(c1)C)C)NN=Cc1cccc2c1OCCO2
ZINC000002648433
ZINC33379562

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Available files

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