Vitas-M small molecule compound
(6Z)-6-{3-ethoxy-4-[2-(phenylsulfanyl)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL236594
SMILES CCOc1cc(ccc1OCCSc1ccccc1)/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 C27H23N5O3S2 MW 529.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O3S2/c1-2-34-23-16-18(10-11-22(23)35-13-14-36-20-8-4-3-5-9-20)15-21-24(28)32-27(30-25(21)33)37-26(31-32)19-7-6-12-29-17-19/h3-12,15-17,28H,2,13-14H2,1H3/b21-15-,28-24-InChIKey
QCGUIKJMTZXLCW-SGJJPXBMSA-NSynonyms
850735-73-8(6Z)6(3ethoxy4(2(phenylsulfanyl)ethoxy)benzylidene)5imino2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(3ethoxy4(2(phenylthio)ethoxy)benzylidene)5imino2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
850735738
CCOc1cc(ccc1OCCSc1ccccc1)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD05693211
ZINC000100936093
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