Vitas-M small molecule compound
(6E)-6-{[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL050532
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C23H16ClN7O3S MW 505.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN7O3S/c1-12-8-15(13(2)29(12)16-5-6-18(24)19(10-16)31(33)34)9-17-20(25)30-23(27-21(17)32)35-22(28-30)14-4-3-7-26-11-14/h3-11,25H,1-2H3/b17-9+,25-20-InChIKey
KTKNXSVNZXNDMK-CCCGYEAUSA-NSynonyms
714285-65-1(6E)6((1(4chloro3nitrophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4chloro3nitrophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
714285651
MFCD04174385
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(c(c1)(N+)(=O)(O))Cl)C)c1cccnc1
ZINC000009245075
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