Vitas-M small molecule compound
(6Z)-6-[4-(benzyloxy)-3-chloro-5-methoxybenzylidene]-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK531652
SMILES CCCc1sc2=NC(=O)/C(=C\c3cc(Cl)c(c(c3)OC)OCc3ccccc3)/C(=N)n2n1
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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 C23H21ClN4O3S MW 468.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O3S/c1-3-7-19-27-28-21(25)16(22(29)26-23(28)32-19)10-15-11-17(24)20(18(12-15)30-2)31-13-14-8-5-4-6-9-14/h4-6,8-12,25H,3,7,13H2,1-2H3/b16-10-,25-21-InChIKey
TVUZTQDRNUJZJE-QPTLMDDDSA-NSynonyms
(6Z)6(4(benzyloxy)3chloro5methoxybenzylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6(4(benzyloxy)3chloro5methoxybenzylidene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCCc1sc2=NC(=O)C(=Cc3cc(Cl)c(c(c3)OC)OCc3ccccc3)C(=N)n2n1
MFCD02118230
ZINC000009309976
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