Vitas-M small molecule compound
2-(5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
Catalog ID
STK172048
SMILES [O-][N+](=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C)C
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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 C27H30N4O4S MW 506.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O4S/c1-20-7-9-25(17-21(20)2)36(34,35)30-15-13-28(14-16-30)24-8-10-26(31(32)33)27(18-24)29-12-11-22-5-3-4-6-23(22)19-29/h3-10,17-18H,11-16,19H2,1-2H3InChIKey
MCINLSVUEVBPFO-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1N1CCc2c(C1)cccc2)N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C)C
2(5(4((34dimethylphenyl)sulfonyl)piperazin1yl)2nitrophenyl)1234tetrahydroisoquinoline
2(5(4(34DIMETHYLPHENYL)SULFONYLPIPERAZIN1YL)2NITROPHENYL)34DIHYDRO1HISOQUINOLINE
CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCC5=CC=CC=C5C4)C
InChI=1SC27H30N4O4Sc1207925(1721(20)2)36(3435)30151328(141630)2481026(31(32)33)27(1824)29121122534623(22)1929h3101718H111619H212H3
MFCD05661681
ZINC000004125093
ZINC04125093
ZINC4125093
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