Vitas-M small molecule compound
(6Z)-6-{3-chloro-4-[(2-fluorobenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL239096
SMILES O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)Cl)OCc3ccccc3F)/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 C25H21ClFN5O3S MW 525.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClFN5O3S/c26-18-12-15(7-8-20(18)35-14-16-5-1-2-6-19(16)27)11-17-23(28)32-25(29-24(17)34)36-21(30-32)13-22(33)31-9-3-4-10-31/h1-2,5-8,11-12,28H,3-4,9-10,13-14H2/b17-11-,28-23-InChIKey
HPGAUMSYAJKOIP-HIZMBLAGSA-NSynonyms
850157-84-5(6Z)6(3chloro4((2fluorobenzyl)oxy)benzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3chloro4((2fluorobenzyl)oxy)benzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850157845
MFCD05689843
O=C(N1CCCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)Cl)OCc3ccccc3F)C2=N)s1
ZINC000101216978
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