Vitas-M small molecule compound
(6E)-6-{[1-(3-chlorophenyl)-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
STL235845
SMILES Clc1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)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 C23H17ClN6OS MW 460.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN6OS/c1-13-9-16(14(2)29(13)18-7-3-6-17(24)11-18)10-19-20(25)30-23(27-21(19)31)32-22(28-30)15-5-4-8-26-12-15/h3-12,25H,1-2H3/b19-10+,25-20-InChIKey
NTRAUECPVFOOHM-ICGQWJINSA-NSynonyms
848683-98-7(6E)6((1(3chlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chlorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848683987
Clc1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04191664
ZINC000009209417
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