Vitas-M small molecule compound
methyl 3-nitro-5-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoate
Catalog ID
STK045388
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ncc(s1)[N+](=O)[O-]
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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 C12H8N4O7S MW 352.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8N4O7S/c1-23-11(18)7-2-6(3-8(4-7)15(19)20)10(17)14-12-13-5-9(24-12)16(21)22/h2-5H,1H3,(H,13,14,17)InChIKey
AEINKMQGMPJAIG-UHFFFAOYSA-NSynonyms
329932-33-4329932334
COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC=C(S2)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ncc(s1)(N+)(=O)(O)
InChI=1SC12H8N4O7Sc12311(18)726(38(47)15(19)20)10(17)14121359(2412)16(21)22h25H1H3(H131417)
METHYL3NITRO5((5NITRO13THIAZOL2YL)CARBAMOYL)BENZOATE
METHYL5NITRO3(N(5NITRO(13THIAZOL2YL))CARBAMOYL)BENZOATE
MFCD01197009
STK045388
ZINC000006879017
ZINC06879017
ZINC6879017
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