Vitas-M small molecule compound
2-hydroxy-4-{(Z)-[4-iminio-8-(methylsulfonyl)-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene]methyl}phenolate
Catalog ID
STK596904
SMILES O=C1N=c2sc3c(n2C(=[NH2+])/C/1=C/c1ccc(c(c1)O)[O-])ccc(c3)S(=O)(=O)C
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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 C18H13N3O5S2 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O5S2/c1-28(25,26)10-3-4-12-15(8-10)27-18-20-17(24)11(16(19)21(12)18)6-9-2-5-13(22)14(23)7-9/h2-8,19,22-23H,1H3/b11-6-,19-16?InChIKey
RQRNKANQNVONRU-GUAAEFLASA-NSynonyms
2hydroxy4((Z)(4iminio8(methylsulfonyl)2oxo2Hpyrimido(21b)(13)benzothiazol3(4H)ylidene)methyl)phenolate
MFCD07204949
O=C1N=c2sc3c(n2C(=(NH2+))C1=Cc1ccc(c(c1)O)(O))ccc(c3)S(=O)(=O)C
ZINC000025076033
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