Vitas-M small molecule compound
(6E)-6-[3-bromo-4-(dimethylamino)benzylidene]-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL232502
SMILES O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)Br)N(C)C)/C2=N)s1
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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 C20H21BrN6O2S MW 489.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN6O2S/c1-25(2)15-6-5-12(10-14(15)21)9-13-18(22)27-20(23-19(13)29)30-16(24-27)11-17(28)26-7-3-4-8-26/h5-6,9-10,22H,3-4,7-8,11H2,1-2H3/b13-9+,22-18-InChIKey
BBDNVPOTWFUZKZ-BGMLCNFBSA-NSynonyms
848686-43-1(6E)6(3bromo4(dimethylamino)benzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6(3bromo4(dimethylamino)benzylidene)5imino2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848686431
MFCD04191991
O=C(N1CCCC1)Cc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)Br)N(C)C)C2=N)s1
ZINC000009209510
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