Vitas-M small molecule compound
7-amino-5-(5-nitrothiophen-2-yl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Catalog ID
STK746649
SMILES N#CC1=C(N)Oc2c(C1c1ccc(s1)[N+](=O)[O-])c(=O)[nH]c(=O)[nH]2
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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 C12H7N5O5S MW 333.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7N5O5S/c13-3-4-7(5-1-2-6(23-5)17(20)21)8-10(18)15-12(19)16-11(8)22-9(4)14/h1-2,7H,14H2,(H2,15,16,18,19)InChIKey
GFFVEXLWZBLVSZ-UHFFFAOYSA-NSynonyms
7amino5(5nitrothiophen2yl)24dioxo1345tetrahydro2Hpyrano(23d)pyrimidine6carbonitrile
7AMINO5(5NITROTHIOPHEN2YL)24DIOXO15DIHYDROPYRANO(23D)PYRIMIDINE6CARBONITRILE
C1=C(SC(=C1)(N+)(=O)(O))C2C(=C(OC3=C2C(=O)NC(=O)N3)N)C#N
InChI=1SC12H7N5O5Sc13347(5126(235)17(20)21)810(18)1512(19)1611(8)229(4)14h127H14H2(H215161819)
MFCD00473065
N#CC1=C(N)Oc2c(C1c1ccc(s1)(N+)(=O)(O))c(=O)(nH)c(=O)(nH)2
ZINC000003169352
ZINC000003169354
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