Vitas-M small molecule compound
6-(azepan-1-ylsulfonyl)-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
Catalog ID
STK983524
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)N1CCCCCC1
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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 C21H21N3O7S MW 459.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O7S/c25-19(15-6-5-7-16(12-15)24(27)28)14-23-18-9-8-17(13-20(18)31-21(23)26)32(29,30)22-10-3-1-2-4-11-22/h5-9,12-13H,1-4,10-11,14H2InChIKey
KQXUOXPNJCDQRZ-UHFFFAOYSA-NSynonyms
6(azepan1ylsulfonyl)3(2(3nitrophenyl)2oxoethyl)13benzoxazol2(3H)one
6(azepan1ylsulfonyl)3(2(3nitrophenyl)2oxoethyl)13benzoxazol2one
C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H21N3O7Sc2519(1565716(1215)24(27)28)1423189817(1320(18)3121(23)26)32(2930)221031241122h591213H14101114H2
MFCD08847695
O=C(c1cccc(c1)(N+)(=O)(O))Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)N1CCCCCC1
ZINC000011689603
ZINC11689603
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