Vitas-M small molecule compound

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

Catalog ID
STK663461
SMILES COc1ccc(cc1OC)CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)OC)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 C28H34N4O8S MW 586.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O8S/c1-37-25-9-5-20(17-27(25)39-3)11-12-29-23-18-21(6-8-24(23)32(33)34)30-13-15-31(16-14-30)41(35,36)22-7-10-26(38-2)28(19-22)40-4/h5-10,17-19,29H,11-16H2,1-4H3
InChIKey
MJRCBUQDBXADQC-UHFFFAOYSA-N
Synonyms
4(3((2(34DIMETHOXYPHENYL)ETHYL)AMINO)4NITROPHENYL)1((34DIMETHOXYPHENYL)SULFONYL)PIPERAZINE
COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)(N+)(=O)(O))OC
COc1ccc(cc1OC)CCNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)OC)OC
N(2(34dimethoxyphenyl)ethyl)5(4((34dimethoxyphenyl)sulfonyl)piperazin1yl)2nitroaniline
N(2(34DIMETHOXYPHENYL)ETHYL)5(4(34DIMETHOXYPHENYL)SULFONYLPIPERAZIN1YL)2NITROANILINE
Registry IDs
MFCD03133697
ZINC000100115809
ZINC100115809

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Available files

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