Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL240337
SMILES O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)Cl)F)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 C25H24ClFN6O2S MW 527.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClFN6O2S/c1-14-10-16(15(2)32(14)17-6-7-20(27)19(26)12-17)11-18-23(28)33-25(29-24(18)35)36-21(30-33)13-22(34)31-8-4-3-5-9-31/h6-7,10-12,28H,3-5,8-9,13H2,1-2H3/b18-11+,28-23-InChIKey
GGWALAQWCFONRX-WKIRTROHSA-NSynonyms
862185-44-2(6E)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro4fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
862185442
MFCD05687925
O=C(N1CCCCC1)Cc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccc(c(c3)Cl)F)C)C2=N)s1
ZINC000101211880
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