Vitas-M small molecule compound
4-[(E)-{5-iminio-7-oxo-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]-2-methoxyphenolate
Catalog ID
STL045411
SMILES COc1cc(ccc1[O-])/C=C\1/C(=O)N=c2n(C1=[NH2+])nc(s2)CC(=O)N1CCCCC1
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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 C20H21N5O4S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4S/c1-29-15-10-12(5-6-14(15)26)9-13-18(21)25-20(22-19(13)28)30-16(23-25)11-17(27)24-7-3-2-4-8-24/h5-6,9-10,21,26H,2-4,7-8,11H2,1H3/b13-9+,21-18?InChIKey
BRJSOLYVLFDCOG-QUSDIPOHSA-NSynonyms
4((E)(5iminio7oxo2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenolate
COc1cc(ccc1(O))C=C1C(=O)N=c2n(C1=(NH2+))nc(s2)CC(=O)N1CCCCC1
MFCD04008685
ZINC000009354499
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