Vitas-M small molecule compound
{2-bromo-6-methoxy-4-[(E)-{(2Z)-2-[(2-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]phenoxy}acetonitrile
Catalog ID
STK958740
SMILES N#CCOc1c(Br)cc(cc1OC)/C=C\1/S/C(=N\c2ccccc2C)/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 C20H16BrN3O3S MW 458.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O3S/c1-12-5-3-4-6-15(12)23-20-24-19(25)17(28-20)11-13-9-14(21)18(27-8-7-22)16(10-13)26-2/h3-6,9-11H,8H2,1-2H3,(H,23,24,25)/b17-11+InChIKey
FLBIXQDMYPTBLE-GZTJUZNOSA-NSynonyms
445287-73-0(2bromo6methoxy4((E)((2Z)2((2methylphenyl)imino)4oxo13thiazolidin5ylidene)methyl)phenoxy)acetonitrile
2(2BROMO6METHOXY4((E)(2(2METHYLANILINO)4OXO13THIAZOL5YLIDENE)METHYL)PHENOXY)ACETONITRILE
445287730
CC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC(=C(C(=C3)Br)OCC#N)OC)S2
InChI=1SC20H16BrN3O3Sc112534615(12)23202419(25)17(2820)1113914(21)18(278722)16(1013)262h36911H8H212H3(H232425)b1711+
MFCD02605617
N#CCOc1c(Br)cc(cc1OC)C=C1SC(=Nc2ccccc2C)NC1=O
ZINC000008444319
ZINC08444319
ZINC8444319
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