Vitas-M small molecule compound
{5-bromo-2-methoxy-4-[(Z)-{(2E)-2-[(2-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]phenoxy}acetonitrile
Catalog ID
STL172413
SMILES N#CCOc1cc(Br)c(cc1OC)/C=C/1\S/C(=N/c2ccccc2OC)/NC1=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 C20H16BrN3O4S MW 474.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O4S/c1-26-15-6-4-3-5-14(15)23-20-24-19(25)18(29-20)10-12-9-16(27-2)17(11-13(12)21)28-8-7-22/h3-6,9-11H,8H2,1-2H3,(H,23,24,25)/b18-10-InChIKey
MLRGCHRESHOXTL-ZDLGFXPLSA-NSynonyms
680991-59-7(5bromo2methoxy4((Z)((2E)2((2methoxyphenyl)imino)4oxo13thiazolidin5ylidene)methyl)phenoxy)acetonitrile
2(5bromo2methoxy4((Z)(2(2methoxyanilino)4oxo13thiazol5ylidene)methyl)phenoxy)acetonitrile
680991597
COC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC(=C(C=C3Br)OCC#N)OC)S2
InChI=1SC20H16BrN3O4Sc12615643514(15)23202419(25)18(2920)1012916(272)17(1113(12)21)288722h36911H8H212H3(H232425)b1810
MFCD04047525
N#CCOc1cc(Br)c(cc1OC)C=C1SC(=Nc2ccccc2OC)NC1=O
ZINC000015931960
ZINC15931960
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