Vitas-M small molecule compound

4-{(E)-[2-({(2,4-dimethoxyphenyl)[(4-methylphenyl)sulfonyl]amino}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl methyl carbonate (non-preferred name)

Catalog ID
STK977715
SMILES COC(=O)Oc1ccc(cc1OC)/C=N/NC(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1OC)OC

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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 C27H29N3O9S MW 571.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O9S/c1-18-6-10-21(11-7-18)40(33,34)30(22-12-9-20(35-2)15-24(22)36-3)17-26(31)29-28-16-19-8-13-23(25(14-19)37-4)39-27(32)38-5/h6-16H,17H2,1-5H3,(H,29,31)/b28-16+
InChIKey
ZPBOYMLHLHNZHK-LQKURTRISA-N
Synonyms

(4((E)((2(24dimethoxyN(4methylphenyl)sulfonylanilino)acetyl)hydrazinylidene)methyl)2methoxyphenyl)methylcarbonate
4((1E)2(2((24DIMETHOXYPHENYL)((4METHYLPHENYL)SULFONYL)AMINO)ACETYLAMINO)2AZAVINYL)2METHOXYPHENYLMETHOXYFORMATE
4((E)(2(((24dimethoxyphenyl)((4methylphenyl)sulfonyl)amino)acetyl)hydrazinylidene)methyl)2methoxyphenylmethylcarbonate(nonpreferredname)
CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC(=C(C=C2)OC(=O)OC)OC)C3=C(C=C(C=C3)OC)OC
COC(=O)Oc1ccc(cc1OC)C=NNC(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1OC)OC
InChI=1SC27H29N3O9Sc11861021(11718)40(3334)30(2212920(352)1524(22)363)1726(31)2928161981323(25(1419)374)3927(32)385h616H17H215H3(H2931)b2816+
MFCD03014347
ZINC000059647122
ZINC102960631

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Available files

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