Vitas-M small molecule compound
(6Z)-5-imino-6-{[5-(2-methyl-4-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
STK036288
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1ccc(cc1C)[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 C20H17N5O4S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O4S/c1-10(2)19-23-24-17(21)15(18(26)22-20(24)30-19)9-13-5-7-16(29-13)14-6-4-12(25(27)28)8-11(14)3/h4-10,21H,1-3H3/b15-9-,21-17-InChIKey
YACZKPRUIJFWBA-AHXQYMIPSA-NSynonyms
(6Z)5imino6((5(2methyl4nitrophenyl)furan2yl)methylidene)2(propan2yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
MFCD02118070
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(o1)c1ccc(cc1C)(N+)(=O)(O))C(C)C
STK036288
ZINC000013942058
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