Vitas-M small molecule compound
(6Z)-2-cyclohexyl-5-imino-6-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK082859
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1ccccc1[N+](=O)[O-])C1CCCCC1
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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 C22H19N5O4S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4S/c23-19-16(12-14-10-11-18(31-14)15-8-4-5-9-17(15)27(29)30)20(28)24-22-26(19)25-21(32-22)13-6-2-1-3-7-13/h4-5,8-13,23H,1-3,6-7H2/b16-12-,23-19-InChIKey
IKVQBKLILAPQRR-JQIXDHTGSA-NSynonyms
(6Z)2cyclohexyl5imino6((5(2nitrophenyl)furan2yl)methylidene)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
MFCD02921013
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))C1CCCCC1
STK082859
ZINC000013893433
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