Vitas-M small molecule compound
2-chloro-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
STL241515
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccc(c(c1)Cl)OS(=O)(=O)C)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 C18H12ClN5O4S2 MW 461.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN5O4S2/c1-30(26,27)28-14-5-4-10(8-13(14)19)7-12-15(20)24-18(22-16(12)25)29-17(23-24)11-3-2-6-21-9-11/h2-9,20H,1H3/b12-7+,20-15-InChIKey
SMMJWRWYFVZRCM-JSNWSPKXSA-NSynonyms
861149-07-7(E)2chloro4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylmethanesulfonate
2chloro4((E)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylmethanesulfonate
861149077
MFCD05684527
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(c(c1)Cl)OS(=O)(=O)C)c1cccnc1
ZINC000009308327
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