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3-{5-[(Z)-{5-iminio-2-[2-(morpholin-4-yl)-2-oxoethyl]-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate

Catalog ID
STL042108
SMILES O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)C(=O)[O-])/C2=[NH2+])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 C23H19N5O6S MW 493.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5O6S/c24-20-16(11-15-4-5-17(34-15)13-2-1-3-14(10-13)22(31)32)21(30)25-23-28(20)26-18(35-23)12-19(29)27-6-8-33-9-7-27/h1-5,10-11,24H,6-9,12H2,(H,31,32)/b16-11-,24-20?
InChIKey
PQLVJDZPOKPQJK-RSRMSENYSA-N
Synonyms

3(5((Z)(5AZANYLIDENE2(2MORPHOLIN4YL2OXIDANYLIDENEETHYL)7OXIDANYLIDENE(134)THIADIAZOLO(32A)PYRIMIDIN6YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((Z)(5iminio2(2(morpholin4yl)2oxoethyl)7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
3(5((Z)(5IMINO2(2(4MORPHOLINYL)2OXOETHYL)7OXO(134)THIADIAZOLO(32A)PYRIMIDIN6YLIDENE)METHYL)2FURANYL)BENZOICACID
3(5((Z)(5IMINO2(2MORPHOLIN4YL2OXOETHYL)7OXO(134)THIADIAZOLO(32A)PYRIMIDIN6YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((Z)(5IMINO7KETO2(2KETO2MORPHOLINOETHYL)(134)THIADIAZOLO(32A)PYRIMIDIN6YLIDENE)METHYL)2FURYL)BENZOICACID
C1COCCN1C(=O)CC2=NN3C(=N)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C(=O)N=C3S2
InChI=1SC23H19N5O6Sc242016(11154517(3415)1321314(1013)22(31)32)21(30)252328(20)2618(3523)1219(29)2768339727h15101124H6912H2(H3132)b16112420?
MFCD04189737
O=C(N1CCOCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(o3)c3cccc(c3)C(=O)(O))C2=(NH2+))s1
ZINC000100571556
ZINC100571556

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Available files

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