Vitas-M small molecule compound
[(5Z)-5-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK823240
SMILES C=CCOc1ccc(cc1C)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 C25H21N3O4S2 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O4S2/c1-3-11-32-20-10-9-17(12-16(20)2)23-18(14-28(26-23)19-7-5-4-6-8-19)13-21-24(31)27(15-22(29)30)25(33)34-21/h3-10,12-14H,1,11,15H2,2H3,(H,29,30)/b21-13-InChIKey
JKJHHRPIUVBWIT-BKUYFWCQSA-NSynonyms
((5Z)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((3(3methyl4prop2enoxyphenyl)1phenylpyrazol4yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
C=CCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CC(=O)O)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4)OCC=C
InChI=1SC25H21N3O4S2c1311322010917(1216(20)2)2318(1428(2623)197546819)132124(31)27(1522(29)30)25(33)3421h3101214H11115H22H3(H2930)b2113
MFCD03463783
ZINC000027018969
ZINC27018969
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