Vitas-M small molecule compound
11-[(5Z)-4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
Catalog ID
STK821358
SMILES OC(=O)CCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2cccs2)c2ccccc2)/C1=O
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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 C28H31N3O3S3 MW 553.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S3/c32-25(33)16-10-5-3-1-2-4-6-11-17-30-27(34)24(37-28(30)35)19-21-20-31(22-13-8-7-9-14-22)29-26(21)23-15-12-18-36-23/h7-9,12-15,18-20H,1-6,10-11,16-17H2,(H,32,33)/b24-19-InChIKey
KCAJFHUZCNHRKR-CLCOLTQESA-NSynonyms
11((5Z)4oxo5((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)4OXO5((1PHENYL3THIOPHEN2YLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C4C(=O)N(C(=S)S4)CCCCCCCCCCC(=O)O
InChI=1SC28H31N3O3S3c3225(33)161053124611173027(34)24(3728(30)35)19212031(22138791422)2926(21)231512183623h7912151820H1610111617H2(H3233)b2419
MFCD03462733
OC(=O)CCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2cccs2)c2ccccc2)C1=O
ZINC000097946928
ZINC97946928
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