Vitas-M small molecule compound
{5-bromo-2-ethoxy-4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetonitrile
Catalog ID
STL172273
SMILES CCOc1cc(/C=C/2\SC(=N)NC2=O)c(cc1OCC#N)Br
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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 C14H12BrN3O3S MW 382.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrN3O3S/c1-2-20-10-5-8(6-12-13(19)18-14(17)22-12)9(15)7-11(10)21-4-3-16/h5-7H,2,4H2,1H3,(H2,17,18,19)/b12-6-InChIKey
GTYKIDALHWXVQW-SDQBBNPISA-NSynonyms
(5bromo2ethoxy4((Z)(2imino4oxo13thiazolidin5ylidene)methyl)phenoxy)acetonitrile
2(4((Z)(2amino4oxo13thiazol5ylidene)methyl)5bromo2ethoxyphenoxy)acetonitrile
CCOC1=C(C=C(C(=C1)C=C2C(=O)N=C(S2)N)Br)OCC#N
CCOc1cc(C=C2SC(=N)NC2=O)c(cc1OCC#N)Br
InChI=1SC14H12BrN3O3Sc12201058(61213(19)1814(17)2212)9(15)711(10)214316h57H24H21H3(H2171819)b126
MFCD04047499
ZINC000006402477
ZINC06402477
ZINC6402477
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