Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-methoxyphenyl)-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
STL224295
SMILES COc1ccc(cc1Cl)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 C19H16ClN5O2S MW 413.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN5O2S/c1-10-6-12(7-14-17(21)25-19(23-18(14)26)28-9-22-25)11(2)24(10)13-4-5-16(27-3)15(20)8-13/h4-9,21H,1-3H3/b14-7+,21-17-InChIKey
SPMJTJTVGVVVOV-VCLGHWIKSA-NSynonyms
877622-60-1(6E)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877622601
COc1ccc(cc1Cl)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)ncs2
MFCD05706462
ZINC000005516598
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