Vitas-M small molecule compound

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

Catalog ID
STK004307
SMILES CCc1sc2=NC(=O)/C(=C/c3cc(I)c(c(c3)OC)OCc3ccccc3C#N)/C(=N)n2n1

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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 C23H18IN5O3S MW 571.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18IN5O3S/c1-3-19-28-29-21(26)16(22(30)27-23(29)33-19)8-13-9-17(24)20(18(10-13)31-2)32-12-15-7-5-4-6-14(15)11-25/h4-10,26H,3,12H2,1-2H3/b16-8+,26-21+
InChIKey
IAUQPEOZHUVNSJ-GCYZYQONSA-N
Synonyms

2((4((E)(2ethyl5imino7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
CCc1sc2=NC(=O)C(=Cc3cc(I)c(c(c3)OC)OCc3ccccc3C#N)C(=N)n2n1
MFCD03183309
STK004307
ZINC000097957772

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Available files

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