Vitas-M small molecule compound

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

Catalog ID
STK171973
SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)c1ccc2c(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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-16-14-19(24(25)26)7-9-21(16)22-10-12-23(13-11-22)29(27,28)20-8-6-17-4-2-3-5-18(17)15-20/h2-9,14-15H,10-13H2,1H3
InChIKey
BXKWRQWHWOMSIF-UHFFFAOYSA-N
Synonyms

1(2METHYL4NITROPHENYL)4(NAPHTHALEN2YLSULFONYL)PIPERAZINE
1(2METHYL4NITROPHENYL)4NAPHTHALEN2YLSULFONYLPIPERAZINE
CC1=C(C=CC(=C1)(N+)(=O)(O))N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cccc2)(N+)(=O)(O)
InChI=1SC21H21N3O4Sc1161419(24(25)26)7921(16)22101223(131122)29(2728)208617423518(17)1520h291415H1013H21H3
MFCD05794938
ZINC000004703649
ZINC04703649
ZINC4703649

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Available files

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