Vitas-M small molecule compound
2-ethoxy-4-{(E)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl methanesulfonate
Catalog ID
STL238985
SMILES CCOc1cc(ccc1OS(=O)(=O)C)/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 C20H17N5O5S2 MW 471.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O5S2/c1-3-29-16-10-12(6-7-15(16)30-32(2,27)28)9-14-17(21)25-20(23-18(14)26)31-19(24-25)13-5-4-8-22-11-13/h4-11,21H,3H2,1-2H3/b14-9+,21-17-InChIKey
MYFBJGSKAHGDFM-XHQYNNMPSA-NSynonyms
845985-85-5(E)2ethoxy4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylmethanesulfonate
2ethoxy4((E)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylmethanesulfonate
845985855
CCOc1cc(ccc1OS(=O)(=O)C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04171389
ZINC000006144818
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