Vitas-M small molecule compound
methyl 4-[(E)-(3-{6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-6-oxohexyl}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
Catalog ID
STK994999
SMILES COC(=O)c1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CCCCCC(=O)Nc1nnc(s1)C
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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 C21H22N4O4S3 MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S3/c1-13-23-24-20(31-13)22-17(26)6-4-3-5-11-25-18(27)16(32-21(25)30)12-14-7-9-15(10-8-14)19(28)29-2/h7-10,12H,3-6,11H2,1-2H3,(H,22,24,26)/b16-12+InChIKey
FHWBJXBGQCPLRB-FOWTUZBSSA-NSynonyms
CC1=NN=C(S1)NC(=O)CCCCCN2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)SC2=SCOC(=O)c1ccc(cc1)C=C1SC(=S)N(C1=O)CCCCCC(=O)Nc1nnc(s1)C
METHYL4((E)(3(6((5METHYL134THIADIAZOL2YL)AMINO)6OXOHEXYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)BENZOATE
methyl4((E)(3(6((5methyl134thiadiazol2yl)amino)6oxohexyl)4oxo2thioxo13thiazolidin5ylidene)methyl)benzoate
Registry IDs
MFCD18185085ZINC000032701773
ZINC32701773
Check stock
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