Vitas-M small molecule compound
(4Z)-2-(3,4-dichlorophenyl)-4-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK386294
SMILES CCOc1cc(ccc1OCC#C)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)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 C22H18Cl2N2O3 MW 429.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18Cl2N2O3/c1-4-10-29-20-9-6-15(12-21(20)28-5-2)11-17-14(3)25-26(22(17)27)16-7-8-18(23)19(24)13-16/h1,6-9,11-13H,5,10H2,2-3H3/b17-11-InChIKey
VYHOZHZBCVVZES-BOPFTXTBSA-NSynonyms
(4Z)2(34dichlorophenyl)4((3ethoxy4prop2ynoxyphenyl)methylidene)5methylpyrazol3one
(4Z)2(34DICHLOROPHENYL)4(3ETHOXY4(PROP2YN1YLOXY)BENZYLIDENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)Cl)C)OCC#C
CCOc1cc(ccc1OCC#C)C=C1C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)C
InChI=1SC22H18Cl2N2O3c141029209615(1221(20)2852)111714(3)2526(22(17)27)167818(23)19(24)1316h1691113H510H223H3b1711
MFCD11853418
ZINC000023402567
ZINC23402567
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