Vitas-M small molecule compound
(6E)-5-imino-6-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK828280
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccc(o1)c1cccc(c1)[N+](=O)[O-])C(C)C
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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 C19H15N5O4S MW 409.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N5O4S/c1-10(2)18-22-23-16(20)14(17(25)21-19(23)29-18)9-13-6-7-15(28-13)11-4-3-5-12(8-11)24(26)27/h3-10,20H,1-2H3/b14-9+,20-16+InChIKey
ZYINABMYTYXULJ-CCQHBWSMSA-NSynonyms
(6E)5imino6((5(3nitrophenyl)furan2yl)methylidene)2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino2isopropyl6((5(3nitrophenyl)furan2yl)methylene)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
MFCD03227354
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))C(C)C
ZINC000032109405
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