Vitas-M small molecule compound
2-chloro-6-ethoxy-4-{(E)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl methanesulfonate
Catalog ID
STL232183
SMILES CCOc1cc(cc(c1OS(=O)(=O)C)Cl)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
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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 C20H16ClN5O5S2 MW 505.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN5O5S2/c1-3-30-15-9-11(8-14(21)16(15)31-33(2,28)29)7-13-17(22)26-20(24-18(13)27)32-19(25-26)12-5-4-6-23-10-12/h4-10,22H,3H2,1-2H3/b13-7+,22-17-InChIKey
QOTDFRVPAFAFDH-WGGXSZMUSA-NSynonyms
849824-94-8(E)2chloro6ethoxy4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylmethanesulfonate
2chloro6ethoxy4((E)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylmethanesulfonate
849824948
CCOc1cc(cc(c1OS(=O)(=O)C)Cl)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD05688031
ZINC000009499696
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