Vitas-M small molecule compound
4-[(E)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3-methylbenzoate
Catalog ID
STK868598
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)C)/C=C\1/SC(=S)N(C1=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 C25H25NO4S2 MW 467.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4S2/c1-16-7-6-8-18(13-16)24(28)30-20-12-11-17(14-21(20)29-2)15-22-23(27)26(25(31)32-22)19-9-4-3-5-10-19/h6-8,11-15,19H,3-5,9-10H2,1-2H3/b22-15+InChIKey
CRSGYCIRPWMTSJ-PXLXIMEGSA-NSynonyms
292034-11-8(4((E)(3CYCLOHEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENYL)3METHYLBENZOATE
(E)4((3cyclohexyl4oxo2thioxothiazolidin5ylidene)methyl)2methoxyphenyl3methylbenzoate
292034118
4((E)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl3methylbenzoate
CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)C4CCCCC4)OC
InChI=1SC25H25NO4S2c11676818(1316)24(28)3020121117(1421(20)292)152223(27)26(25(31)3222)1994351019h68111519H35910H212H3b2215+
MFCD01945714
ZINC000013766103
ZINC13766103
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