Vitas-M small molecule compound
2-chloro-5-{(4Z)-3-methyl-5-oxo-4-[(5-{4-[(propan-2-yloxy)carbonyl]phenyl}furan-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK389056
SMILES CC(OC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)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 C26H21ClN2O6 MW 492.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O6/c1-14(2)34-26(33)17-6-4-16(5-7-17)23-11-9-19(35-23)13-20-15(3)28-29(24(20)30)18-8-10-22(27)21(12-18)25(31)32/h4-14H,1-3H3,(H,31,32)/b20-13-InChIKey
PGZITTUQJORWEX-MOSHPQCFSA-NSynonyms
2CHLORO5((4Z)3METHYL5OXO4((5(4((PROPAN2YLOXY)CARBONYL)PHENYL)FURAN2YL)METHYLIDENE)45DIHYDRO1HPYRAZOL1YL)BENZOICACID
2CHLORO5((4Z)3METHYL5OXO4((5(4PROPAN2YLOXYCARBONYLPHENYL)FURAN2YL)METHYLIDENE)PYRAZOL1YL)BENZOICACID
CC(OC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)C
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC(C)C)C4=CC(=C(C=C4)Cl)C(=O)O
InChI=1SC26H21ClN2O6c114(2)3426(33)176416(5717)2311919(3523)132015(3)2829(24(20)30)1881022(27)21(1218)25(31)32h414H13H3(H3132)b2013
MFCD01363749
ZINC000008617970
ZINC8617970
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