Vitas-M small molecule compound

3-(3,4-dimethoxyphenyl)-5-(3-nitrophenyl)-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazole

Catalog ID
STL336748
SMILES COc1cc(ccc1OC)C1=NN(C(C1)c1cccc(c1)[N+](=O)[O-])S(=O)(=O)c1ccccc1

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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 C23H21N3O6S MW 467.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O6S/c1-31-22-12-11-16(14-23(22)32-2)20-15-21(17-7-6-8-18(13-17)26(27)28)25(24-20)33(29,30)19-9-4-3-5-10-19/h3-14,21H,15H2,1-2H3
InChIKey
ZAJWTTXFKYLGPT-UHFFFAOYSA-N
Synonyms
402950-73-6
2(BENZENESULFONYL)5(34DIMETHOXYPHENYL)3(3NITROPHENYL)34DIHYDROPYRAZOLE
3(34dimethoxyphenyl)5(3nitrophenyl)1(phenylsulfonyl)45dihydro1Hpyrazole
402950736
COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)(N+)(=O)(O))S(=O)(=O)C4=CC=CC=C4)OC
COc1cc(ccc1OC)C1=NN(C(C1)c1cccc(c1)(N+)(=O)(O))S(=O)(=O)c1ccccc1
InChI=1SC23H21N3O6Sc13122121116(1423(22)322)201521(1776818(1317)26(27)28)25(2420)33(2930)1994351019h31421H15H212H3
MFCD03668687
ZINC000004142142
ZINC000004142143

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Available files

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