Vitas-M small molecule compound
2-chloro-4-[(E)-{5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]phenyl methanesulfonate
Catalog ID
STL235738
SMILES O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)Cl)OS(=O)(=O)C)/C2=N)s1
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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 C19H18ClN5O6S2 MW 511.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN5O6S2/c1-33(28,29)31-14-3-2-11(9-13(14)20)8-12-17(21)25-19(22-18(12)27)32-15(23-25)10-16(26)24-4-6-30-7-5-24/h2-3,8-9,21H,4-7,10H2,1H3/b12-8+,21-17-InChIKey
MPHIKSIQHHIRHL-UUVHUHBRSA-NSynonyms
877790-99-3(E)2chloro4((5imino2(2morpholino2oxoethyl)7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylmethanesulfonate
2chloro4((E)(5imino2(2(morpholin4yl)2oxoethyl)7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenylmethanesulfonate
877790993
MFCD05702207
O=C(N1CCOCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)Cl)OS(=O)(=O)C)C2=N)s1
ZINC000009345367
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