Vitas-M small molecule compound
methyl 4-[(E)-{3-[6-(4,5-dihydro-1,3-thiazol-2-ylamino)-6-oxohexyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]benzoate
Catalog ID
STL035495
SMILES COC(=O)c1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CCCCCC(=O)NC1=NCCS1
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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 C21H23N3O4S3 MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S3/c1-28-19(27)15-8-6-14(7-9-15)13-16-18(26)24(21(29)31-16)11-4-2-3-5-17(25)23-20-22-10-12-30-20/h6-9,13H,2-5,10-12H2,1H3,(H,22,23,25)/b16-13+InChIKey
QXTJHUKDVJZHAW-DTQAZKPQSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)NC3=NCCS3
COC(=O)c1ccc(cc1)C=C1SC(=S)N(C1=O)CCCCCC(=O)NC1=NCCS1
InChI=1SC21H23N3O4S3c12819(27)158614(7915)131618(26)24(21(29)3116)11423517(25)23202210123020h6913H251012H21H3(H222325)b1613+
methyl4((E)(3(6(45dihydro13thiazol2ylamino)6oxohexyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)benzoate
methyl4((E)(3(6(45dihydro13thiazol2ylamino)6oxohexyl)4oxo2thioxo13thiazolidin5ylidene)methyl)benzoate
MFCD18192005
ZINC000032701781
ZINC32701781
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