Vitas-M small molecule compound
(6Z)-5-imino-6-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL051720
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])c1cccnc1
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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 C21H12N6O4S MW 444.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N6O4S/c22-18-16(10-15-6-7-17(31-15)12-3-1-5-14(9-12)27(29)30)19(28)24-21-26(18)25-20(32-21)13-4-2-8-23-11-13/h1-11,22H/b16-10-,22-18-InChIKey
JYJPDOCNMRLLGX-OOVWLKTBSA-NSynonyms
714922-12-0(6Z)5imino6((5(3nitrophenyl)furan2yl)methylidene)2(pyridin3yl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)5imino6((5(3nitrophenyl)furan2yl)methylene)2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
714922120
MFCD04173695
O=C1N=c2sc(nn2C(=N)C1=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))c1cccnc1
ZINC000009358800
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