Vitas-M small molecule compound
4-[(Z)-{5-iminio-7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]-2-methoxy-6-(prop-2-en-1-yl)phenolate
Catalog ID
STL041425
SMILES C=CCc1cc(cc(c1[O-])OC)/C=C/1\C(=O)N=c2n(C1=[NH2+])nc(s2)CC(=O)N1CCCC1
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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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-3-6-14-9-13(11-16(31-2)19(14)29)10-15-20(23)27-22(24-21(15)30)32-17(25-27)12-18(28)26-7-4-5-8-26/h3,9-11,23,29H,1,4-8,12H2,2H3/b15-10-,23-20?InChIKey
ZGDXNDWHOFJFFR-VKMKFJCDSA-NSynonyms
4((Z)(5iminio7oxo2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxy6(prop2en1yl)phenolate
C=CCc1cc(cc(c1(O))OC)C=C1C(=O)N=c2n(C1=(NH2+))nc(s2)CC(=O)N1CCCC1
MFCD04166519
ZINC000009281370
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