Vitas-M small molecule compound
(6Z)-6-{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
STK556006
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)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 C27H23N5O3S MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O3S/c1-17-5-3-6-18(2)23(17)35-14-13-34-21-10-8-19(9-11-21)15-22-24(28)32-27(30-25(22)33)36-26(31-32)20-7-4-12-29-16-20/h3-12,15-16,28H,13-14H2,1-2H3/b22-15-,28-24-InChIKey
BOFZXBUBMBWURX-SGMFEUEYSA-NSynonyms
843632-80-4(6Z)6(4(2(26dimethylphenoxy)ethoxy)benzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(2(26dimethylphenoxy)ethoxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
843632804
MFCD04015052
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(cc1)OCCOc1c(C)cccc1C)c1cccnc1
ZINC000009458093
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