Vitas-M small molecule compound

3-(4-bromophenyl)-1-[(4-methylphenyl)sulfonyl]-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole

Catalog ID
STK837016
SMILES Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)Br

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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 C22H18BrN3O4S MW 500.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O4S/c1-15-5-11-20(12-6-15)31(29,30)25-22(17-3-2-4-19(13-17)26(27)28)14-21(24-25)16-7-9-18(23)10-8-16/h2-13,22H,14H2,1H3
InChIKey
ZJIICSOSGNTPRR-UHFFFAOYSA-N
Synonyms
312586-92-8
3(4bromophenyl)1((4methylphenyl)sulfonyl)5(3nitrophenyl)45dihydro1Hpyrazole
3(4BROMOPHENYL)5(3NITROPHENYL)1TOSYL45DIHYDRO1HPYRAZOLE
312586928
5(4BROMOPHENYL)2(4METHYLPHENYL)SULFONYL3(3NITROPHENYL)34DIHYDROPYRAZOLE
CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1cccc(c1)(N+)(=O)(O))c1ccc(cc1)Br
InChI=1SC22H18BrN3O4Sc11551120(12615)31(2930)2522(1732419(1317)26(27)28)1421(2425)167918(23)10816h21322H14H21H3
MFCD02083650
ZINC000006189038
ZINC000006189041

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Available files

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