Vitas-M small molecule compound
2-ethoxy-4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl benzoate
Catalog ID
STL235767
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)/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 C26H19N5O4S MW 497.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N5O4S/c1-2-34-21-14-16(10-11-20(21)35-25(33)17-7-4-3-5-8-17)13-19-22(27)31-26(29-23(19)32)36-24(30-31)18-9-6-12-28-15-18/h3-15,27H,2H2,1H3/b19-13-,27-22-InChIKey
NHCQBQIFOYMSSS-VTVAOOKBSA-NSynonyms
844465-58-3(Z)2ethoxy4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylbenzoate
2ethoxy4((Z)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylbenzoate
844465583
CCOc1cc(ccc1OC(=O)c1ccccc1)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04157954
ZINC000009192484
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