Vitas-M small molecule compound
ethyl 4-{[3-(4-nitrobenzyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}piperazine-1-carboxylate
Catalog ID
STK983529
SMILES CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1ccc(cc1)[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 C21H22N4O8S MW 490.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O8S/c1-2-32-20(26)22-9-11-23(12-10-22)34(30,31)17-7-8-18-19(13-17)33-21(27)24(18)14-15-3-5-16(6-4-15)25(28)29/h3-8,13H,2,9-12,14H2,1H3InChIKey
QWDZNGLHERTPDU-UHFFFAOYSA-NSynonyms
941843-09-0941843090
CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1ccc(cc1)(N+)(=O)(O)
CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=C(C=C4)(N+)(=O)(O)
ethyl4((3((4nitrophenyl)methyl)2oxo13benzoxazol6yl)sulfonyl)piperazine1carboxylate
ethyl4((3(4nitrobenzyl)2oxo23dihydro13benzoxazol6yl)sulfonyl)piperazine1carboxylate
InChI=1SC21H22N4O8Sc123220(26)2291123(121022)34(3031)17781819(1317)3321(27)24(18)14153516(6415)25(28)29h3813H291214H21H3
MFCD08847619
ZINC000011689608
ZINC11689608
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