Vitas-M small molecule compound
3-{5-[(Z)-(2-ethyl-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL047003
SMILES CCc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)C(=O)[O-])/C2=[NH2+])s1
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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 C19H14N4O4S MW 394.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4O4S/c1-2-15-22-23-16(20)13(17(24)21-19(23)28-15)9-12-6-7-14(27-12)10-4-3-5-11(8-10)18(25)26/h3-9,20H,2H2,1H3,(H,25,26)/b13-9-,20-16?InChIKey
FETUUSLUZVLSPQ-PNZWKLPWSA-NSynonyms
3(5((Z)(2ethyl5iminio7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
3(5((Z)(2ETHYL5IMINO7OXO(134)THIADIAZOLO(32A)PYRIMIDIN6YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCC1=NN2C(=N)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)N=C2S1
CCc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3cccc(c3)C(=O)(O))C2=(NH2+))s1
InChI=1SC19H14N4O4Sc1215222316(20)13(17(24)2119(23)2815)9126714(2712)1043511(810)18(25)26h3920H2H21H3(H2526)b1392016?
MFCD02219849
ZINC000031849056
ZINC31849056
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