Vitas-M small molecule compound
2-ethoxy-4-[(Z)-(5-iminio-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]phenolate
Catalog ID
STK560431
SMILES CCCc1sc2=NC(=O)/C(=C\c3ccc(c(c3)OCC)[O-])/C(=[NH2+])n2n1
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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 C17H18N4O3S MW 358.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O3S/c1-3-5-14-20-21-15(18)11(16(23)19-17(21)25-14)8-10-6-7-12(22)13(9-10)24-4-2/h6-9,18,22H,3-5H2,1-2H3/b11-8-,18-15?InChIKey
DBGBEBQMGHWNOO-CQWRCJHRSA-NSynonyms
2ethoxy4((Z)(5iminio7oxo2propyl5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenolate
CCCc1sc2=NC(=O)C(=Cc3ccc(c(c3)OCC)(O))C(=(NH2+))n2n1
MFCD02117948
ZINC000001252406
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