Vitas-M small molecule compound

2-({2-ethoxy-4-[(Z)-(2-ethyl-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenoxy}methyl)benzonitrile

Catalog ID
STK531517
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC

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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 C24H21N5O3S MW 459.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O3S/c1-3-21-28-29-22(26)18(23(30)27-24(29)33-21)11-15-9-10-19(20(12-15)31-4-2)32-14-17-8-6-5-7-16(17)13-25/h5-12,26H,3-4,14H2,1-2H3/b18-11-,26-22-
InChIKey
LKFPCEZPPHDOFX-VQEMAIGYSA-N
Synonyms

(Z)2((2ethoxy4((2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenoxy)methyl)benzonitrile
2((2ethoxy4((Z)(2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenoxy)methyl)benzonitrile
CCOc1cc(ccc1OCc1ccccc1C#N)C=C1C(=O)N=c2n(C1=N)nc(s2)CC
MFCD02950892
ZINC000008492182

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Available files

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