Vitas-M small molecule compound
4-[(Z)-(8-ethoxy-4-iminio-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]-2-methoxyphenolate
Catalog ID
STK580039
SMILES CCOc1ccc2c(c1)sc1=NC(=O)/C(=C\c3ccc(c(c3)OC)[O-])/C(=[NH2+])n21
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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 C20H17N3O4S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S/c1-3-27-12-5-6-14-17(10-12)28-20-22-19(25)13(18(21)23(14)20)8-11-4-7-15(24)16(9-11)26-2/h4-10,21,24H,3H2,1-2H3/b13-8-,21-18?InChIKey
KYMAQXFXYISFAV-PQJMHHKISA-NSynonyms
4((Z)(8ethoxy4iminio2oxo2Hpyrimido(21b)(13)benzothiazol3(4H)ylidene)methyl)2methoxyphenolate
CCOc1ccc2c(c1)sc1=NC(=O)C(=Cc3ccc(c(c3)OC)(O))C(=(NH2+))n21
MFCD07207042
ZINC000016996076
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