Vitas-M small molecule compound

4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenyl 3,4-dimethoxybenzoate

Catalog ID
STL238083
SMILES COc1cc(ccc1OC(=O)c1ccc(c(c1)OC)OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

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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 C27H21N5O6S MW 543.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O6S/c1-35-19-9-7-16(13-22(19)37-3)26(34)38-20-8-6-15(12-21(20)36-2)11-18-23(28)32-27(30-24(18)33)39-25(31-32)17-5-4-10-29-14-17/h4-14,28H,1-3H3/b18-11-,28-23-
InChIKey
ABDHKSYGTIJELY-XVLGFRDPSA-N
Synonyms
845806-17-9
(Z)4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl34dimethoxybenzoate
4((Z)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl34dimethoxybenzoate
845806179
COc1cc(ccc1OC(=O)c1ccc(c(c1)OC)OC)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04170169
ZINC000101118443

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Available files

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