Vitas-M small molecule compound
4-[(E)-(4-iminio-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]phenolate
Catalog ID
STK592649
SMILES [O-]c1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=[NH2+])c1ccccc1s2
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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 C17H11N3O2S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N3O2S/c18-15-12(9-10-5-7-11(21)8-6-10)16(22)19-17-20(15)13-3-1-2-4-14(13)23-17/h1-9,18,21H/b12-9+,18-15?InChIKey
PTQNZCBHLFGDAJ-XNNMEOQWSA-NSynonyms
(O)c1ccc(cc1)C=C1C(=O)N=c2n(C1=(NH2+))c1ccccc1s2
4((E)(4iminio2oxo2Hpyrimido(21b)(13)benzothiazol3(4H)ylidene)methyl)phenolate
MFCD06599273
ZINC000005370029
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