Vitas-M small molecule compound

4,7,7-trimethyl-N-(5-nitro-1,3-thiazol-2-yl)-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide

Catalog ID
STK849730
SMILES O=C(C12CCC(C2(C)C)(C(=O)O1)C)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 C13H15N3O5S MW 325.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O5S/c1-11(2)12(3)4-5-13(11,21-9(12)18)8(17)15-10-14-6-7(22-10)16(19)20/h6H,4-5H2,1-3H3,(H,14,15,17)
InChIKey
AANZMQGEJIZNKQ-UHFFFAOYSA-N
Synonyms
838255-91-7
(1S4S)477trimethylN(5nitrothiazol2yl)3oxo2oxabicyclo(221)heptane1carboxamide
177TRIMETHYLN(5NITRO13THIAZOL2YL)2OXIDANYLIDENE3OXABICYCLO(221)HEPTANE4CARBOXAMIDE
177TRIMETHYLN(5NITRO13THIAZOL2YL)2OXO3OXABICYCLO(221)HEPTANE4CARBOXAMIDE
177TRIMETHYLN(5NITRO2THIAZOLYL)2OXO3OXABICYCLO(221)HEPTANE4CARBOXAMIDE
2KETO177TRIMETHYLN(5NITROTHIAZOL2YL)3OXABICYCLO(221)HEPTANE4CARBOXAMIDE
477trimethylN(5nitro13thiazol2yl)3oxo2oxabicyclo(221)heptane1carboxamide
838255917
CC1(C2(CCC1(OC2=O)C(=O)NC3=NC=C(S3)(N+)(=O)(O))C)C
InChI=1SC13H15N3O5Sc111(2)12(3)4513(11219(12)18)8(17)15101467(2210)16(19)20h6H45H213H3(H141517)
MFCD06631526
N(5NITRO(13THIAZOL2YL))(477TRIMETHYL3OXO2OXABICYCLO(221)HEPTYL)CARBOXAMIDE
O=C(C12CCC(C2(C)C)(C(=O)O1)C)Nc1ncc(s1)(N+)(=O)(O)
ZINC000004820723

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.