Vitas-M small molecule compound
N-{(E)-[3-methyl-5-methylidene-1-(4-nitrophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1-phenylethanamine
Catalog ID
STK086397
SMILES CC(c1ccccc1)N/C=c\1/c(C)nn(c1=C)c1ccc(cc1)[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 C20H20N4O2 MW 348.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2/c1-14(17-7-5-4-6-8-17)21-13-20-15(2)22-23(16(20)3)18-9-11-19(12-10-18)24(25)26/h4-14,21H,3H2,1-2H3/b20-13-InChIKey
QXKSJFAEIDWAKD-MOSHPQCFSA-NSynonyms
CC(c1ccccc1)NC=c1c(C)nn(c1=C)c1ccc(cc1)(N+)(=O)(O)
CC1=NN(C(=C)C1=CNC(C)C2=CC=CC=C2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H20N4O2c114(177546817)21132015(2)2223(16(20)3)1891119(121018)24(25)26h41421H3H212H3b2013
MFCD02300146
N((E)(3METHYL5METHYLIDENE1(4NITROPHENYL)15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)1PHENYLETHANAMINE
N((E)(3METHYL5METHYLIDENE1(4NITROPHENYL)PYRAZOL4YLIDENE)METHYL)1PHENYLETHANAMINE
STK086397
ZINC000004672946
ZINC000018137474
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