Vitas-M small molecule compound
ethyl [3'-acetyl-5-bromo-5'-(3-nitrophenyl)-2-oxo-3'H-spiro[indole-3,2'-[1,3,4]oxadiazol]-1(2H)-yl]acetate
Catalog ID
STK686054
SMILES CCOC(=O)CN1c2ccc(cc2C2(C1=O)OC(=NN2C(=O)C)c1cccc(c1)[N+](=O)[O-])Br
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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 C21H17BrN4O7 MW 517.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O7/c1-3-32-18(28)11-24-17-8-7-14(22)10-16(17)21(20(24)29)25(12(2)27)23-19(33-21)13-5-4-6-15(9-13)26(30)31/h4-10H,3,11H2,1-2H3InChIKey
KFVRYKUKFGPFRR-UHFFFAOYSA-NSynonyms
CCOC(=O)CN1C2=C(C=C(C=C2)Br)C3(C1=O)N(N=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C
CCOC(=O)CN1c2ccc(cc2C2(C1=O)OC(=NN2C(=O)C)c1cccc(c1)(N+)(=O)(O))Br
ethyl(3acetyl5bromo5(3nitrophenyl)2oxo3Hspiro(indole32(134)oxadiazol)1(2H)yl)acetate
ETHYL2(3ACETYL5BROMO5(3NITROPHENYL)2OXOSPIRO(134OXADIAZOLE23INDOLE)1YL)ACETATE
InChI=1SC21H17BrN4O7c133218(28)1124178714(22)1016(17)21(20(24)29)25(12(2)27)2319(3321)1354615(913)26(30)31h410H311H212H3
MFCD06014401
ZINC000098007805
ZINC000098007807
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