Vitas-M small molecule compound
5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-N-ethyl-2-nitroaniline
Catalog ID
STK172422
SMILES CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)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 C20H26N4O4S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4S/c1-4-21-19-14-17(6-8-20(19)24(25)26)22-9-11-23(12-10-22)29(27,28)18-7-5-15(2)16(3)13-18/h5-8,13-14,21H,4,9-12H2,1-3H3InChIKey
USASXDKWKYTLSP-UHFFFAOYSA-NSynonyms
5(4((34DIMETHYLPHENYL)SULFONYL)PIPERAZIN1YL)NETHYL2NITROANILINE
5(4(34DIMETHYLPHENYL)SULFONYLPIPERAZIN1YL)NETHYL2NITROANILINE
CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)(N+)(=O)(O)
CCNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C)C
InChI=1SC20H26N4O4Sc1421191417(6820(19)24(25)26)2291123(121022)29(2728)187515(2)16(3)1318h58131421H4912H213H3
MFCD04218828
ZINC000004703763
ZINC04703763
ZINC4703763
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