Vitas-M small molecule compound
2-(5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
Catalog ID
STK148930
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)[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 C26H28N4O4S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4S/c1-20-6-9-24(10-7-20)35(33,34)29-16-14-27(15-17-29)23-8-11-25(30(31)32)26(18-23)28-13-12-21-4-2-3-5-22(21)19-28/h2-11,18H,12-17,19H2,1H3InChIKey
KIZNKIFFKIBJLS-UHFFFAOYSA-NSynonyms
2(5(4((4methylphenyl)sulfonyl)piperazin1yl)2nitrophenyl)1234tetrahydroisoquinoline
2(5(4(4METHYLPHENYL)SULFONYLPIPERAZIN1YL)2NITROPHENYL)34DIHYDRO1HISOQUINOLINE
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCC5=CC=CC=C5C4
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
InChI=1SC26H28N4O4Sc1206924(10720)35(3334)29161427(151729)2381125(30(31)32)26(1823)28131221423522(21)1928h21118H121719H21H3
MFCD02631998
ZINC000009601762
ZINC09601762
ZINC9601762
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