Vitas-M small molecule compound

(2Z)-5-amino-2-{4-[(2-cyanobenzyl)oxy]benzylidene}-7-{4-[(2-cyanobenzyl)oxy]phenyl}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

Catalog ID
STL354724
SMILES N#Cc1ccccc1COc1ccc(cc1)/C=c/1\sc2=C(C#N)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)OCc1ccccc1C#N

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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 C38H24N6O3S MW 644.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H24N6O3S/c39-18-26-5-1-3-7-28(26)22-46-30-13-9-24(10-14-30)17-34-37(45)44-36(43)32(20-41)35(33(21-42)38(44)48-34)25-11-15-31(16-12-25)47-23-29-8-4-2-6-27(29)19-40/h1-17,35H,22-23,43H2/b34-17-
InChIKey
FPWFVWBGLZMHQD-DLCNMLRHSA-N
Synonyms

(2Z)5amino2(4((2cyanobenzyl)oxy)benzylidene)7(4((2cyanobenzyl)oxy)phenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine68dicarbonitrile
(2Z)5AMINO7(4((2CYANOPHENYL)METHOXY)PHENYL)2((4((2CYANOPHENYL)METHOXY)PHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE68DICARBONITRILE
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=C3C(=O)N4C(=C(C(C(=C4S3)C#N)C5=CC=C(C=C5)OCC6=CC=CC=C6C#N)C#N)N)C#N
InChI=1SC38H24N6O3Sc391826513728(26)22463013924(101430)173437(45)4436(43)32(2041)35(33(2142)38(44)4834)25111531(161225)472329842627(29)1940h11735H222343H2b3417
MFCD05150283
N#Cc1ccccc1COc1ccc(cc1)C=c1sc2=C(C#N)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)OCc1ccccc1C#N
ZINC000150385686
ZINC000150385687

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Available files

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