Vitas-M small molecule compound

(4E)-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK111479
SMILES Clc1ccc(cc1)Sc1ccc(cc1[N+](=O)[O-])/C=C/1\C(=NN(C1=O)c1ccccc1)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 C23H16ClN3O3S MW 449.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O3S/c1-15-20(23(28)26(25-15)18-5-3-2-4-6-18)13-16-7-12-22(21(14-16)27(29)30)31-19-10-8-17(24)9-11-19/h2-14H,1H3/b20-13+
InChIKey
ZAIUFZUAZXBEOP-DEDYPNTBSA-N
Synonyms

(4E)4((4(4CHLOROPHENYL)SULFANYL3NITROPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(4((4CHLOROPHENYL)SULFANYL)3NITROBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)(N+)(=O)(O))C4=CC=CC=C4
Clc1ccc(cc1)Sc1ccc(cc1(N+)(=O)(O))C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC23H16ClN3O3Sc11520(23(28)26(2515)185324618)131671222(21(1416)27(29)30)311910817(24)91119h214H1H3b2013+
MFCD04127599
ZINC000100317641
ZINC100317641

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Available files

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