Vitas-M small molecule compound
methyl 3-nitro-4-(9H-purin-6-ylsulfanyl)benzoate
Catalog ID
STK735693
SMILES COC(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1ncnc2c1nc[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 C13H9N5O4S MW 331.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O4S/c1-22-13(19)7-2-3-9(8(4-7)18(20)21)23-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H,14,15,16,17)InChIKey
VWUFMFQTOKJJEW-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)SC2=NC=NC3=C2NC=N3)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)(N+)(=O)(O))Sc1ncnc2c1nc(nH)2
InChI=1SC13H9N5O4Sc12213(19)7239(8(47)18(20)21)23121011(1551410)1661712h26H1H3(H14151617)
METHYL3NITRO4(7HPURIN6YLSULFANYL)BENZOATE
methyl3nitro4(9Hpurin6ylsulfanyl)benzoate
METHYL3NITRO4PURIN6YLTHIOBENZOATE
MFCD01895800
ZINC000004565134
ZINC04565134
ZINC4565134
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