Vitas-M small molecule compound
(6Z)-5-imino-6-{3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]benzylidene}-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK086052
SMILES COc1cc(ccc1OCCOc1ccc(cc1)[N+](=O)[O-])/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C
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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 C24H23N5O6S MW 509.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N5O6S/c1-14(2)23-27-28-21(25)18(22(30)26-24(28)36-23)12-15-4-9-19(20(13-15)33-3)35-11-10-34-17-7-5-16(6-8-17)29(31)32/h4-9,12-14,25H,10-11H2,1-3H3/b18-12-,25-21-InChIKey
IMQCIVHHRCJOJB-MXQULWKESA-NSynonyms
(6Z)5imino6(3methoxy4(2(4nitrophenoxy)ethoxy)benzylidene)2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino2isopropyl6(3methoxy4(2(4nitrophenoxy)ethoxy)benzylidene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
COc1cc(ccc1OCCOc1ccc(cc1)(N+)(=O)(O))C=C1C(=O)N=c2n(C1=N)nc(s2)C(C)C
MFCD02118504
STK086052
ZINC000008861625
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