Vitas-M small molecule compound
2-bromo-4-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
Catalog ID
STK128242
SMILES CCN1C(=S)S/C(=C\c2ccc(c(c2)Br)OC(=O)c2ccc(cc2)C)/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 C20H16BrNO3S2 MW 462.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrNO3S2/c1-3-22-18(23)17(27-20(22)26)11-13-6-9-16(15(21)10-13)25-19(24)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3/b17-11-InChIKey
LABJNBCIGXRCCX-BOPFTXTBSA-NSynonyms
(2bromo4((Z)(3ethyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)4methylbenzoate
2BROMO4((Z)(3ETHYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENYL4METHYLBENZOATE
CCN1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C)Br)SC1=S
CCN1C(=S)SC(=Cc2ccc(c(c2)Br)OC(=O)c2ccc(cc2)C)C1=O
InChI=1SC20H16BrNO3S2c132218(23)17(2720(22)26)11136916(15(21)1013)2519(24)147412(2)5814h411H3H212H3b1711
MFCD08673200
ZINC000009849576
ZINC09849576
ZINC9849576
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