Vitas-M small molecule compound

2-methyl-1-(naphthalen-2-ylsulfonyl)-4-(4-nitrophenyl)piperazine

Catalog ID
STK150399
SMILES CC1CN(CCN1S(=O)(=O)c1ccc2c(c1)cccc2)c1ccc(cc1)[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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-16-15-22(19-7-9-20(10-8-19)24(25)26)12-13-23(16)29(27,28)21-11-6-17-4-2-3-5-18(17)14-21/h2-11,14,16H,12-13,15H2,1H3
InChIKey
DQJSCJBQOZFVMN-UHFFFAOYSA-N
Synonyms

2METHYL1(NAPHTHALEN2YLSULFONYL)4(4NITROPHENYL)PIPERAZINE
2METHYL1NAPHTHALEN2YLSULFONYL4(4NITROPHENYL)PIPERAZINE
CC1CN(CCN1S(=O)(=O)c1ccc2c(c1)cccc2)c1ccc(cc1)(N+)(=O)(O)
CC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H21N3O4Sc1161522(197920(10819)24(25)26)121323(16)29(2728)2111617423518(17)1421h2111416H121315H21H3
MFCD03614858
ZINC000004687598
ZINC000004687599

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.