Vitas-M small molecule compound

N-(2-{(2E)-2-[3-bromo-4-(dimethylamino)benzylidene]hydrazinyl}-2-oxoethyl)-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide (non-preferred name)

Catalog ID
STL113903
SMILES COc1ccc(cc1OC)N(S(=O)(=O)c1ccc(cc1)C)CC(=O)N/N=C/c1ccc(c(c1)Br)N(C)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 C26H29BrN4O5S MW 589.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29BrN4O5S/c1-18-6-10-21(11-7-18)37(33,34)31(20-9-13-24(35-4)25(15-20)36-5)17-26(32)29-28-16-19-8-12-23(30(2)3)22(27)14-19/h6-16H,17H2,1-5H3,(H,29,32)/b28-16+
InChIKey
QYNUFDOKOAUNPH-LQKURTRISA-N
Synonyms

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC(=C(C=C2)N(C)C)Br)C3=CC(=C(C=C3)OC)OC
COc1ccc(cc1OC)N(S(=O)(=O)c1ccc(cc1)C)CC(=O)NN=Cc1ccc(c(c1)Br)N(C)C
InChI=1SC26H29BrN4O5Sc11861021(11718)37(3334)31(2091324(354)25(1520)365)1726(32)2928161981223(30(2)3)22(27)1419h616H17H215H3(H2932)b2816+
MFCD02071726
N((E)(3BROMO4(DIMETHYLAMINO)PHENYL)METHYLIDENEAMINO)2(34DIMETHOXYN(4METHYLPHENYL)SULFONYLANILINO)ACETAMIDE
N(2((2E)2(3bromo4(dimethylamino)benzylidene)hydrazinyl)2oxoethyl)N(34dimethoxyphenyl)4methylbenzenesulfonamide(nonpreferredname)
N(2(2(3BROMO4(DIMETHYLAMINO)BENZYLIDENE)HYDRAZINO)2OXOETHYL)N(34DIMETHOXYPHENYL)4METHYLBENZENESULFONAMIDE
ZINC000002173160
ZINC100303382

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Available files

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