Vitas-M small molecule compound
11-[(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]undecanoic acid
Catalog ID
STK823377
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCCCCCCC(=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 C34H39N3O4S2 MW 617.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N3O4S2/c1-3-21-41-29-19-18-26(22-25(29)2)32-27(24-37(35-32)28-15-11-10-12-16-28)23-30-33(40)36(34(42)43-30)20-14-9-7-5-4-6-8-13-17-31(38)39/h3,10-12,15-16,18-19,22-24H,1,4-9,13-14,17,20-21H2,2H3,(H,38,39)/b30-23-InChIKey
WPFZACQUOSRWRP-WMMMYUQOSA-NSynonyms
11((5Z)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
C=CCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4)OCC=C
InChI=1SC34H39N3O4S2c13214129191826(2225(29)2)3227(2437(3532)28151110121628)233033(40)36(34(42)4330)2014975468131731(38)39h31012151618192224H1491314172021H22H3(H3839)b3023
MFCD03463901
ZINC000097947162
ZINC97947162
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