Vitas-M small molecule compound
6-[(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]hexanoic acid
Catalog ID
STK823315
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCC(=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 C29H29N3O4S2 MW 547.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O4S2/c1-3-16-36-24-14-13-21(17-20(24)2)27-22(19-32(30-27)23-10-6-4-7-11-23)18-25-28(35)31(29(37)38-25)15-9-5-8-12-26(33)34/h3-4,6-7,10-11,13-14,17-19H,1,5,8-9,12,15-16H2,2H3,(H,33,34)/b25-18-InChIKey
FBKCYIOAPCIHJF-BWAHOGKJSA-NSynonyms
6((5Z)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
C=CCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCC(=O)O)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)C4=CC=CC=C4)OCC=C
InChI=1SC29H29N3O4S2c13163624141321(1720(24)2)2722(1932(3027)23106471123)182528(35)31(29(37)3825)159581226(33)34h3467101113141719H1589121516H22H3(H3334)b2518
MFCD03463841
ZINC000097947155
ZINC97947155
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