Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712730
SMILES CSc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(ccc3C)[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 C20H18N6O3S2 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O3S2/c1-10-5-6-14(26(28)29)9-16(10)24-11(2)7-13(12(24)3)8-15-17(21)25-19(22-18(15)27)31-20(23-25)30-4/h5-9,21H,1-4H3/b15-8+,21-17-InChIKey
NMLHFCMVYLOCMO-GCEAIPNOSA-NSynonyms
861643-18-7(6E)6((25dimethyl1(2methyl5nitrophenyl)1Hpyrrol3yl)methylidene)5imino2(methylsulfanyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(2methyl5nitrophenyl)1Hpyrrol3yl)methylene)5imino2(methylthio)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
861643187
CSc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(ccc3C)(N+)(=O)(O))C)C2=N)s1
MFCD05685887
ZINC000008739691
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