Vitas-M small molecule compound
11-{(5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}undecanoic acid
Catalog ID
STK813469
SMILES OC(=O)CCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccccc2)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 C30H33N3O3S2 MW 547.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O3S2/c34-27(35)19-13-5-3-1-2-4-6-14-20-32-29(36)26(38-30(32)37)21-24-22-33(25-17-11-8-12-18-25)31-28(24)23-15-9-7-10-16-23/h7-12,15-18,21-22H,1-6,13-14,19-20H2,(H,34,35)/b26-21-InChIKey
ZNQDEYCLFCJNAG-QLYXXIJNSA-NSynonyms
11((5Z)5((13diphenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((13DIPHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
11(5((13DIPHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)UNDECANOICACID
C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4
InChI=1SC30H33N3O3S2c3427(35)191353124614203229(36)26(3830(32)37)21242233(2517118121825)3128(24)231597101623h71215182122H1613141920H2(H3435)b2621
MFCD04441589
OC(=O)CCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccccc2)c2ccccc2)C1=O
ZINC000100871487
ZINC100871487
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