Vitas-M small molecule compound
(6E)-6-{[1-(2-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
STL240888
SMILES O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccccc3F)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 C25H25FN6O2S MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN6O2S/c1-15-12-17(16(2)31(15)20-9-5-4-8-19(20)26)13-18-23(27)32-25(28-24(18)34)35-21(29-32)14-22(33)30-10-6-3-7-11-30/h4-5,8-9,12-13,27H,3,6-7,10-11,14H2,1-2H3/b18-13+,27-23-InChIKey
MGGLSBNUIQUYOD-AGMIWGPLSA-NSynonyms
862116-32-3(6E)6((1(2fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(2fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
862116323
MFCD05687048
O=C(N1CCCCC1)Cc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccccc3F)C)C2=N)s1
ZINC000009309389
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