Vitas-M small molecule compound
1-[6-hydroxy-3,6-dimethyl-4-(4-nitrophenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-5-yl]ethanone
Catalog ID
STL052201
SMILES CC(=O)C1C(c2ccc(cc2)[N+](=O)[O-])c2c(C)onc2CC1(C)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 C17H18N2O5 MW 330.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O5/c1-9(20)16-15(11-4-6-12(7-5-11)19(22)23)14-10(2)24-18-13(14)8-17(16,3)21/h4-7,15-16,21H,8H2,1-3H3InChIKey
SWOGYRFXTLHBDV-UHFFFAOYSA-NSynonyms
105807-60-11(6hydroxy36dimethyl4(4nitrophenyl)4567tetrahydro21benzoxazol5yl)ethanone
1(6hydroxy36dimethyl4(4nitrophenyl)4567tetrahydrobenzo(c)isoxazol5yl)ethanone
1(6HYDROXY36DIMETHYL4(4NITROPHENYL)57DIHYDRO4H21BENZOXAZOL5YL)ETHANONE
105807601
CC(=O)C1C(c2ccc(cc2)(N+)(=O)(O))c2c(C)onc2CC1(C)O
CC1=C2C(C(C(CC2=NO1)(C)O)C(=O)C)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H18N2O5c19(20)1615(114612(7511)19(22)23)1410(2)241813(14)817(163)21h47151621H8H213H3
MFCD02160516
ZINC000005577849
ZINC000104075954
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