Vitas-M small molecule compound
4-chloro-2-[(E)-{[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]phenolate
Catalog ID
STL040275
SMILES COC(=O)c1c(/N=C/c2cc(Cl)ccc2[O-])sc2c1CC[NH+](C2)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 C17H17ClN2O3S MW 364.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN2O3S/c1-20-6-5-12-14(9-20)24-16(15(12)17(22)23-2)19-8-10-7-11(18)3-4-13(10)21/h3-4,7-8,21H,5-6,9H2,1-2H3/b19-8+InChIKey
DSCCMMKJKLMOFB-UFWORHAWSA-NSynonyms
381717-58-4381717584
4chloro2((E)((3(methoxycarbonyl)6methyl4567tetrahydrothieno(23c)pyridin6ium2yl)imino)methyl)phenolate
COC(=O)c1c(N=Cc2cc(Cl)ccc2(O))sc2c1CC(NH+)(C2)C
MFCD01147605
ZINC000000694792
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