Vitas-M small molecule compound

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

Catalog ID
STK148719
SMILES COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)ccc1OC

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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 C27H32N4O6S MW 540.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O6S/c1-20-4-8-23(9-5-20)38(34,35)30-16-14-29(15-17-30)22-7-10-25(31(32)33)24(19-22)28-13-12-21-6-11-26(36-2)27(18-21)37-3/h4-11,18-19,28H,12-17H2,1-3H3
InChIKey
ZEZLSWYFJMDFKD-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCCC4=CC(=C(C=C4)OC)OC
COc1cc(CCNc2cc(ccc2(N+)(=O)(O))N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)ccc1OC
InChI=1SC27H32N4O6Sc1204823(9520)38(3435)30161429(151730)2271025(31(32)33)24(1922)2813122161126(362)27(1821)373h411181928H1217H213H3
MFCD02625902
N(2(34DIMETHOXYPHENYL)ETHYL)5(4((4METHYLPHENYL)SULFONYL)PIPERAZIN1YL)2NITROANILINE
N(2(34DIMETHOXYPHENYL)ETHYL)5(4(4METHYLPHENYL)SULFONYLPIPERAZIN1YL)2NITROANILINE
ZINC000100097712
ZINC100097712

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Available files

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