Vitas-M small molecule compound
(6Z)-5-imino-6-{4-[(2-nitrobenzyl)oxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL052072
SMILES O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCc3ccccc3[N+](=O)[O-])/C2=N)s1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H22N6O5S MW 518.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O5S/c26-23-19(24(33)27-25-30(23)28-21(37-25)14-22(32)29-11-3-4-12-29)13-16-7-9-18(10-8-16)36-15-17-5-1-2-6-20(17)31(34)35/h1-2,5-10,13,26H,3-4,11-12,14-15H2/b19-13-,26-23-InChIKey
AGFNGQDUTBDJSS-JICKAJHDSA-NSynonyms
714922-55-1(6Z)5imino6(4((2nitrobenzyl)oxy)benzylidene)2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6(4((2nitrobenzyl)oxy)benzylidene)2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
714922551
MFCD05704588
O=C(N1CCCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(cc3)OCc3ccccc3(N+)(=O)(O))C2=N)s1
ZINC000009346094
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