Vitas-M small molecule compound
3-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]-6-(morpholin-4-ylsulfonyl)-1,3-benzoxazol-2(3H)-one
Catalog ID
STK983532
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)N1CCOCC1
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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 C21H21N3O9S MW 491.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O9S/c1-2-32-19-6-3-14(11-17(19)24(27)28)18(25)13-23-16-5-4-15(12-20(16)33-21(23)26)34(29,30)22-7-9-31-10-8-22/h3-6,11-12H,2,7-10,13H2,1H3InChIKey
LMWMLHAIFAJHNU-UHFFFAOYSA-NSynonyms
3(2(4ethoxy3nitrophenyl)2oxoethyl)6(morpholin4ylsulfonyl)13benzoxazol2(3H)one
3(2(4ethoxy3nitrophenyl)2oxoethyl)6morpholin4ylsulfonyl13benzoxazol2one
CCOC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)OC2=O)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)N1CCOCC1
InChI=1SC21H21N3O9Sc1232196314(1117(19)24(27)28)18(25)1323165415(1220(16)3321(23)26)34(2930)22793110822h361112H271013H21H3
MFCD08847611
ZINC000011689612
ZINC11689612
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