Vitas-M small molecule compound
2-(5-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
Catalog ID
STK148933
SMILES Clc1ccc(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 C25H25ClN4O4S MW 513.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN4O4S/c26-21-5-8-23(9-6-21)35(33,34)29-15-13-27(14-16-29)22-7-10-24(30(31)32)25(17-22)28-12-11-19-3-1-2-4-20(19)18-28/h1-10,17H,11-16,18H2InChIKey
XYMTVYBIWPBURA-UHFFFAOYSA-NSynonyms
2(5(4((4chlorophenyl)sulfonyl)piperazin1yl)2nitrophenyl)1234tetrahydroisoquinoline
2(5(4(4CHLOROPHENYL)SULFONYLPIPERAZIN1YL)2NITROPHENYL)34DIHYDRO1HISOQUINOLINE
C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl)(N+)(=O)(O)
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
InChI=1SC25H25ClN4O4Sc26215823(9621)35(3334)29151327(141629)2271024(30(31)32)25(1722)28121119312420(19)1828h11017H111618H2
MFCD02632001
ZINC000009601763
ZINC09601763
ZINC9601763
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