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 3-methoxybenzoate
Catalog ID
STL233438
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)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 C27H21N5O5S MW 527.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O5S/c1-3-36-22-13-16(9-10-21(22)37-26(34)17-6-4-8-19(14-17)35-2)12-20-23(28)32-27(30-24(20)33)38-25(31-32)18-7-5-11-29-15-18/h4-15,28H,3H2,1-2H3/b20-12+,28-23-InChIKey
PARVTHAMOSQODO-OEVZQUKBSA-NSynonyms
848062-86-2(E)2ethoxy4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl3methoxybenzoate
2ethoxy4((E)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl3methoxybenzoate
848062862
CCOc1cc(ccc1OC(=O)c1cccc(c1)OC)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04187209
ZINC000101154536
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