Vitas-M small molecule compound
4-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl (2E)-3-phenylprop-2-enoate
Catalog ID
STK821670
SMILES O=C(Oc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCc1ccccc1)/C=C/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 C27H21NO3S2 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO3S2/c29-25(16-13-20-7-3-1-4-8-20)31-23-14-11-22(12-15-23)19-24-26(30)28(27(32)33-24)18-17-21-9-5-2-6-10-21/h1-16,19H,17-18H2/b16-13+,24-19-InChIKey
BNIJHJXVCUZJSG-ZHNNPGPNSA-NSynonyms
(4((Z)(4oxo3(2phenylethyl)2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)(E)3phenylprop2enoate
4((Z)(4oxo3(2phenylethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl(2E)3phenylprop2enoate
C1=CC=C(C=C1)CCN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C=CC4=CC=CC=C4)SC2=S
InChI=1SC27H21NO3S2c2925(1613207314820)3123141122(121523)192426(30)28(27(32)3324)18172195261021h11619H1718H2b1613+2419
MFCD01457802
O=C(Oc1ccc(cc1)C=C1SC(=S)N(C1=O)CCc1ccccc1)C=Cc1ccccc1
ZINC000026965542
ZINC26965542
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