Vitas-M small molecule compound
(6Z)-6-{3-ethoxy-4-[(3-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL239016
SMILES CCOc1cc(ccc1OCc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)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/c1-3-34-23-14-18(9-10-22(23)35-16-19-7-4-6-17(2)12-19)13-21-24(28)32-27(30-25(21)33)36-26(31-32)20-8-5-11-29-15-20/h4-15,28H,3,16H2,1-2H3/b21-13-,28-24-InChIKey
WFAAXMTYWROQOQ-BSAKSWINSA-NSynonyms
845804-97-9(6Z)6(3ethoxy4((3methylbenzyl)oxy)benzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3ethoxy4((3methylbenzyl)oxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
845804979
CCOc1cc(ccc1OCc1cccc(c1)C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04170078
ZINC000009281938
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