Vitas-M small molecule compound
2-bromo-6-methoxy-4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate
Catalog ID
STL385229
SMILES C=CCN1C(=S)S/C(=C\c2cc(Br)c(c(c2)OC)OC(=O)c2ccccc2)/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 C21H16BrNO4S2 MW 490.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrNO4S2/c1-3-9-23-19(24)17(29-21(23)28)12-13-10-15(22)18(16(11-13)26-2)27-20(25)14-7-5-4-6-8-14/h3-8,10-12H,1,9H2,2H3/b17-12-InChIKey
XOCUVPYKQFSYMU-ATVHPVEESA-NSynonyms
(2BROMO6METHOXY4((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)BENZOATE
2bromo6methoxy4((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)phenylbenzoate
C=CCN1C(=S)SC(=Cc2cc(Br)c(c(c2)OC)OC(=O)c2ccccc2)C1=O
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Br)OC(=O)C3=CC=CC=C3
InChI=1SC21H16BrNO4S2c1392319(24)17(2921(23)28)12131015(22)18(16(1113)262)2720(25)147546814h381012H19H22H3b1712
MFCD03142267
ZINC000022276217
ZINC22276217
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