Vitas-M small molecule compound
11-[(5Z)-5-{[3-(2-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
Catalog ID
STK810377
SMILES CCCOc1ccc(c(c1)C)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 C34H41N3O4S2 MW 619.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O4S2/c1-3-21-41-28-18-19-29(25(2)22-28)32-26(24-37(35-32)27-15-11-10-12-16-27)23-30-33(40)36(34(42)43-30)20-14-9-7-5-4-6-8-13-17-31(38)39/h10-12,15-16,18-19,22-24H,3-9,13-14,17,20-21H2,1-2H3,(H,38,39)/b30-23-InChIKey
RSIHQSWORLXOMS-WMMMYUQOSA-NSynonyms
11((5Z)5((3(2methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(2METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4)C
CCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1
InChI=1SC34H41N3O4S2c13214128181929(25(2)2228)3226(2437(3532)27151110121627)233033(40)36(34(42)4330)2014975468131731(38)39h1012151618192224H391314172021H212H3(H3839)b3023
MFCD03932924
ZINC000100840293
ZINC100840293
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