Vitas-M small molecule compound

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

Catalog ID
STK064330
SMILES COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)c2ccc(cc2)Br)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 C26H29BrN4O6S MW 605.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29BrN4O6S/c1-36-25-10-3-19(17-26(25)37-2)11-12-28-23-18-21(6-9-24(23)31(32)33)29-13-15-30(16-14-29)38(34,35)22-7-4-20(27)5-8-22/h3-10,17-18,28H,11-16H2,1-2H3
InChIKey
JWOFMHYJTXPXSQ-UHFFFAOYSA-N
Synonyms

5(4((4BROMOPHENYL)SULFONYL)PIPERAZIN1YL)N(2(34DIMETHOXYPHENYL)ETHYL)2NITROANILINE
5(4((4bromophenyl)sulfonyl)piperazin1yl)N(34dimethoxyphenethyl)2nitroaniline
5(4(4BROMOPHENYL)SULFONYLPIPERAZIN1YL)N(2(34DIMETHOXYPHENYL)ETHYL)2NITROANILINE
COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)(N+)(=O)(O))OC
COc1cc(CCNc2cc(ccc2(N+)(=O)(O))N2CCN(CC2)S(=O)(=O)c2ccc(cc2)Br)ccc1OC
InChI=1SC26H29BrN4O6Sc1362510319(1726(25)372)111228231821(6924(23)31(32)33)29131530(161429)38(3435)227420(27)5822h310171828H1116H212H3
MFCD02627837
STK064330
ZINC000033355125
ZINC33355125

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Available files

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