Vitas-M small molecule compound
(6E)-6-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224240
SMILES CCOc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)ncs2
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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 C20H19N5O2S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O2S/c1-4-27-16-7-5-15(6-8-16)24-12(2)9-14(13(24)3)10-17-18(21)25-20(23-19(17)26)28-11-22-25/h5-11,21H,4H2,1-3H3/b17-10+,21-18-InChIKey
IISAMBKJSBIVGB-OPYGLYCDSA-NSynonyms
849913-58-2(6E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
849913582
CCOc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)ncs2
MFCD05688753
ZINC000013806030
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