Vitas-M small molecule compound
4-{(E)-[5-iminio-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenolate
Catalog ID
STL151176
SMILES COc1cc(ccc1[O-])/C=C\1/C(=O)N=c2n(C1=[NH2+])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 C18H13N5O3S MW 379.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N5O3S/c1-26-14-8-10(4-5-13(14)24)7-12-15(19)23-18(21-16(12)25)27-17(22-23)11-3-2-6-20-9-11/h2-9,19,24H,1H3/b12-7+,19-15?InChIKey
MEZIEGSXSFBDGT-CRKOOCFNSA-NSynonyms
4((E)(5iminio7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenolate
COc1cc(ccc1(O))C=C1C(=O)N=c2n(C1=(NH2+))nc(s2)c1cccnc1
MFCD04018220
ZINC000004646221
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