Vitas-M small molecule compound
(2E)-3-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(2-hydroxyphenyl)prop-2-en-1-one
Catalog ID
STL386511
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=C/C(=O)c1ccccc1O
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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 C22H21N3O5 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5/c1-14-22(25(28)29)15(2)24(23-14)13-17-12-16(9-11-21(17)30-3)8-10-20(27)18-6-4-5-7-19(18)26/h4-12,26H,13H2,1-3H3/b10-8+InChIKey
OSOYNAJDOICEPU-CSKARUKUSA-NSynonyms
955548-06-8(2E)3(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)1(2hydroxyphenyl)prop2en1one
(E)3(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)1(2HYDROXYPHENYL)PROP2EN1ONE
3(3((4NITRO35DIMETHYL1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)1(2HYDROXYPHENYL)2PROPEN1ONE
955548068
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=CC(=O)C3=CC=CC=C3O)OC)C)(N+)(=O)(O)
COc1ccc(cc1Cn1nc(c(c1C)(N+)(=O)(O))C)C=CC(=O)c1ccccc1O
InChI=1SC22H21N3O5c11422(25(28)29)15(2)24(2314)13171216(91121(17)303)81020(27)18645719(18)26h41226H13H213H3b108+
MFCD03558768
ZINC000004652046
ZINC04652046
ZINC4652046
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