Vitas-M small molecule compound
(6Z)-5-imino-6-{4-[(2-nitrobenzyl)oxy]benzylidene}-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL048687
SMILES O=C(N1CCCCC1)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 C26H24N6O5S MW 532.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N6O5S/c27-24-20(14-17-8-10-19(11-9-17)37-16-18-6-2-3-7-21(18)32(35)36)25(34)28-26-31(24)29-22(38-26)15-23(33)30-12-4-1-5-13-30/h2-3,6-11,14,27H,1,4-5,12-13,15-16H2/b20-14-,27-24-InChIKey
VUIRRTNOAQMAEC-LUZUMDDWSA-NSynonyms
714937-89-0(6Z)5imino6(4((2nitrobenzyl)oxy)benzylidene)2(2oxo2(piperidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6(4((2nitrobenzyl)oxy)benzylidene)2(2oxo2(piperidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
714937890
MFCD04160217
O=C(N1CCCCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(cc3)OCc3ccccc3(N+)(=O)(O))C2=N)s1
ZINC000101099727
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