Vitas-M small molecule compound

1-[(4-methoxy-3-nitrophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole

Catalog ID
STK841935
SMILES COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)n1nc(cc1C)C

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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 C12H13N3O5S MW 311.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O5S/c1-8-6-9(2)14(13-8)21(18,19)10-4-5-12(20-3)11(7-10)15(16)17/h4-7H,1-3H3
InChIKey
JRCOYQJEPLLXAX-UHFFFAOYSA-N
Synonyms
957014-50-5
1((4methoxy3nitrophenyl)sulfonyl)35dimethyl1Hpyrazole
1(4METHOXY3NITROPHENYL)SULFONYL35DIMETHYLPYRAZOLE
4((35DIMETHYLPYRAZOLYL)SULFONYL)1METHOXY2NITROBENZENE
957014505
CC1=CC(=NN1S(=O)(=O)C2=CC(=C(C=C2)OC)(N+)(=O)(O))C
COc1ccc(cc1(N+)(=O)(O))S(=O)(=O)n1nc(cc1C)C
InChI=1SC12H13N3O5Sc1869(2)14(138)21(1819)104512(203)11(710)15(16)17h47H13H3
MFCD03295653
ZINC000004278838
ZINC04278838
ZINC4278838

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Available files

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