Vitas-M small molecule compound
(6Z)-6-{3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK558160
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCOc1c(C)cccc1C)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 C27H22ClN5O3S MW 532.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN5O3S/c1-16-5-3-6-17(2)23(16)36-12-11-35-22-9-8-18(14-21(22)28)13-20-24(29)33-27(31-25(20)34)37-26(32-33)19-7-4-10-30-15-19/h3-10,13-15,29H,11-12H2,1-2H3/b20-13-,29-24-InChIKey
HLYVKWDRCCSADW-AWNUFMCDSA-NSynonyms
585554-72-9(6Z)6(3chloro4(2(26dimethylphenoxy)ethoxy)benzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3chloro4(2(26dimethylphenoxy)ethoxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
585554729
MFCD04030469
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(c(c1)Cl)OCCOc1c(C)cccc1C)c1cccnc1
ZINC000100935740
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