Vitas-M small molecule compound
(6Z)-2-ethyl-5-imino-6-{3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK064733
SMILES COc1cc(ccc1OCCOc1ccc(cc1)[N+](=O)[O-])/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC
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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 C23H21N5O6S MW 495.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O6S/c1-3-20-26-27-21(24)17(22(29)25-23(27)35-20)12-14-4-9-18(19(13-14)32-2)34-11-10-33-16-7-5-15(6-8-16)28(30)31/h4-9,12-13,24H,3,10-11H2,1-2H3/b17-12-,24-21-InChIKey
CTFMUIBLKIUCOM-GXRVDCRFSA-NSynonyms
(6Z)2ethyl5imino6(3methoxy4(2(4nitrophenoxy)ethoxy)benzylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)2ethyl5imino6(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)CC
MFCD02109884
STK064733
ZINC000009553796
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