Vitas-M small molecule compound
5-[4-(benzylsulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
Catalog ID
STK028221
SMILES COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)Cc2ccccc2)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/c1-36-26-11-8-21(18-27(26)37-2)12-13-28-24-19-23(9-10-25(24)31(32)33)29-14-16-30(17-15-29)38(34,35)20-22-6-4-3-5-7-22/h3-11,18-19,28H,12-17,20H2,1-2H3InChIKey
WMGFGYHRAMQQGE-UHFFFAOYSA-NSynonyms
4(3((2(34DIMETHOXYPHENYL)ETHYL)AMINO)4NITROPHENYL)1(BENZYLSULFONYL)PIPERAZINE
5(4(BENZYLSULFONYL)PIPERAZIN1YL)N(2(34DIMETHOXYPHENYL)ETHYL)2NITROANILINE
5(4(benzylsulfonyl)piperazin1yl)N(34dimethoxyphenethyl)2nitroaniline
5(4BENZYLSULFONYLPIPERAZIN1YL)N(2(34DIMETHOXYPHENYL)ETHYL)2NITROANILINE
COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)(N+)(=O)(O))OC
COc1cc(CCNc2cc(ccc2(N+)(=O)(O))N2CCN(CC2)S(=O)(=O)Cc2ccccc2)ccc1OC
InChI=1SC27H32N4O6Sc1362611821(1827(26)372)121328241923(91025(24)31(32)33)29141630(171529)38(3435)20226435722h311181928H121720H212H3
MFCD02625945
STK028221
ZINC000059724597
ZINC59724597
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