Vitas-M small molecule compound
(6Z)-6-{3-chloro-4-[2-(3,4-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
STK652600
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCOc1ccc(c(c1)C)C)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/c1-16-5-7-20(12-17(16)2)35-10-11-36-23-8-6-18(14-22(23)28)13-21-24(29)33-27(31-25(21)34)37-26(32-33)19-4-3-9-30-15-19/h3-9,12-15,29H,10-11H2,1-2H3/b21-13-,29-24-InChIKey
RGYTUNDUWWWLJW-AIFZOKMXSA-NSynonyms
845638-07-5(6Z)6(3chloro4(2(34dimethylphenoxy)ethoxy)benzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3chloro4(2(34dimethylphenoxy)ethoxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845638075
MFCD04167286
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(c(c1)Cl)OCCOc1ccc(c(c1)C)C)c1cccnc1
ZINC000100946055
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