Vitas-M small molecule compound
[(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK822087
SMILES COc1ccc(cc1Br)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(=O)O)c1ccccc1
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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 C22H16BrN3O4S2 MW 530.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN3O4S2/c1-30-17-8-7-13(9-16(17)23)20-14(11-26(24-20)15-5-3-2-4-6-15)10-18-21(29)25(12-19(27)28)22(31)32-18/h2-11H,12H2,1H3,(H,27,28)/b18-10-InChIKey
GEGZOUSOKXMPLE-ZDLGFXPLSA-NSynonyms
((5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((3(3BROMO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4)Br
COc1ccc(cc1Br)c1nn(cc1C=C1SC(=S)N(C1=O)CC(=O)O)c1ccccc1
InChI=1SC22H16BrN3O4S2c130178713(916(17)23)2014(1126(2420)155324615)101821(29)25(1219(27)28)22(31)3218h211H12H21H3(H2728)b1810
MFCD03463244
ZINC000097947067
ZINC97947067
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