Vitas-M small molecule compound

N-{3-[bis(2-methylpropyl)amino]-2-hydroxypropyl}-N-(2-methoxy-5-nitrophenyl)-4-methylbenzenesulfonamide

Catalog ID
STK766259
SMILES COc1ccc(cc1N(S(=O)(=O)c1ccc(cc1)C)CC(CN(CC(C)C)CC(C)C)O)[N+](=O)[O-]

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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 C25H37N3O6S MW 507.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37N3O6S/c1-18(2)14-26(15-19(3)4)16-22(29)17-27(35(32,33)23-10-7-20(5)8-11-23)24-13-21(28(30)31)9-12-25(24)34-6/h7-13,18-19,22,29H,14-17H2,1-6H3
InChIKey
NYDMYCZHVOSNEC-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN(CC(C)C)CC(C)C)O)C2=C(C=CC(=C2)(N+)(=O)(O))OC
COc1ccc(cc1N(S(=O)(=O)c1ccc(cc1)C)CC(CN(CC(C)C)CC(C)C)O)(N+)(=O)(O)
COc1ccc(cc1N(S(=O)(=O)c1ccc(cc1)C)CC(CN(CC(C)C)CC(C)C)O)(N+)(=O)(O)Cl
InChI=1SC25H37N3O6Sc118(2)1426(1519(3)4)1622(29)1727(35(3233)2310720(5)81123)241321(28(30)31)91225(24)346h71318192229H1417H216H3
MFCD01408335
N(3(bis(2methylpropyl)amino)2hydroxypropyl)N(2methoxy5nitrophenyl)4methylbenzenesulfonamide
N(3(diisobutylamino)2hydroxypropyl)N(2methoxy5nitrophenyl)4methylbenzenesulfonamidehydrochloride
ZINC000009071696
ZINC000009075750

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Available files

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