Vitas-M small molecule compound

5-{4-[(3,4-dimethoxyphenyl)sulfonyl]piperazin-1-yl}-N-(2,2-dimethylpropyl)-2-nitroaniline

Catalog ID
STK205948
SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCC(C)(C)C)[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 C23H32N4O6S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N4O6S/c1-23(2,3)16-24-19-14-17(6-8-20(19)27(28)29)25-10-12-26(13-11-25)34(30,31)18-7-9-21(32-4)22(15-18)33-5/h6-9,14-15,24H,10-13,16H2,1-5H3
InChIKey
OLHNWYKGVULNAT-UHFFFAOYSA-N
Synonyms

5(4((34DIMETHOXYPHENYL)SULFONYL)PIPERAZIN1YL)N(22DIMETHYLPROPYL)2NITROANILINE
5(4(34DIMETHOXYPHENYL)SULFONYLPIPERAZIN1YL)N(22DIMETHYLPROPYL)2NITROANILINE
CC(C)(C)CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)(N+)(=O)(O)
COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)NCC(C)(C)C)(N+)(=O)(O)
InChI=1SC23H32N4O6Sc123(23)1624191417(6820(19)27(28)29)25101226(131125)34(3031)187921(324)22(1518)335h69141524H101316H215H3
MFCD06167694
ZINC000009971741
ZINC09971741
ZINC9971741

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Available files

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