Vitas-M small molecule compound
(6Z)-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-6-{4-[(2-nitrobenzyl)oxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL054827
SMILES O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3ccccc3[N+](=O)[O-])/C2=N)s1
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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 C25H22N6O6S MW 534.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O6S/c26-23-19(13-16-5-7-18(8-6-16)37-15-17-3-1-2-4-20(17)31(34)35)24(33)27-25-30(23)28-21(38-25)14-22(32)29-9-11-36-12-10-29/h1-8,13,26H,9-12,14-15H2/b19-13-,26-23-InChIKey
SOTQEQWIYAARIK-JICKAJHDSA-NSynonyms
714921-18-3(6Z)5imino2(2(morpholin4yl)2oxoethyl)6(4((2nitrobenzyl)oxy)benzylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino2(2morpholino2oxoethyl)6(4((2nitrobenzyl)oxy)benzylidene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
714921183
MFCD04175296
O=C(N1CCOCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(cc3)OCc3ccccc3(N+)(=O)(O))C2=N)s1
ZINC000101128843
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