Vitas-M small molecule compound
2-(2-nitro-5-{4-[(2-nitrophenyl)sulfonyl]piperazin-1-yl}phenyl)-1,2,3,4-tetrahydroisoquinoline
Catalog ID
STK157781
SMILES [O-][N+](=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
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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 C25H25N5O6S MW 523.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O6S/c31-29(32)22-10-9-21(17-24(22)27-12-11-19-5-1-2-6-20(19)18-27)26-13-15-28(16-14-26)37(35,36)25-8-4-3-7-23(25)30(33)34/h1-10,17H,11-16,18H2InChIKey
LSNIMTXGYSOBCM-UHFFFAOYSA-NSynonyms
591736-58-2(O)(N+)(=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)S(=O)(=O)c1ccccc1(N+)(=O)(O)
2(2nitro5(4((2nitrophenyl)sulfonyl)piperazin1yl)phenyl)1234tetrahydroisoquinoline
2(2NITRO5(4(2NITROPHENYL)SULFONYLPIPERAZIN1YL)PHENYL)34DIHYDRO1HISOQUINOLINE
591736582
C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC25H25N5O6Sc3129(32)2210921(1724(22)27121119512620(19)1827)26131528(161426)37(3536)25843723(25)30(33)34h11017H111618H2
MFCD03687274
ZINC000008691678
ZINC08691678
ZINC8691678
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