Vitas-M small molecule compound
(6E)-5-imino-6-{[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712736
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(cc3OC)[N+](=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 C22H22N6O4S MW 466.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O4S/c1-5-6-19-25-27-20(23)16(21(29)24-22(27)33-19)10-14-9-12(2)26(13(14)3)17-8-7-15(28(30)31)11-18(17)32-4/h7-11,23H,5-6H2,1-4H3/b16-10+,23-20-InChIKey
BIJKEHQOHCVYAE-XFNLHSONSA-NSynonyms
861140-95-6(6E)5imino6((1(2methoxy4nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)5imino6((1(2methoxy4nitrophenyl)25dimethyl1Hpyrrol3yl)methylene)2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
861140956
CCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(cc3OC)(N+)(=O)(O))C)C2=N)s1
MFCD05684048
ZINC000008997386
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