Vitas-M small molecule compound

1-(4-methoxyphenyl)-4-{2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl}piperazine

Catalog ID
STK148884
SMILES COc1ccc(cc1)N1CCN(CC1)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccccc1

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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 C27H31N5O5S MW 537.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O5S/c1-37-24-10-7-22(8-11-24)28-13-15-30(16-14-28)27-21-23(9-12-26(27)32(33)34)29-17-19-31(20-18-29)38(35,36)25-5-3-2-4-6-25/h2-12,21H,13-20H2,1H3
InChIKey
DWUHSWXKZJNQCV-UHFFFAOYSA-N
Synonyms

1(4METHOXYPHENYL)4(2NITRO5(4(PHENYLSULFONYL)PIPERAZIN1YL)PHENYL)PIPERAZINE
1(5(4(BENZENESULFONYL)PIPERAZIN1YL)2NITROPHENYL)4(4METHOXYPHENYL)PIPERAZINE
COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)(N+)(=O)(O)
COc1ccc(cc1)N1CCN(CC1)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccccc1
InChI=1SC27H31N5O5Sc1372410722(81124)28131530(161428)272123(91226(27)32(33)34)29171931(201829)38(3536)255324625h21221H1320H21H3
MFCD02629969
ZINC000033355328
ZINC33355328

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Available files

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