Vitas-M small molecule compound
ethyl 8-(4-bromophenyl)-1-(4-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate
Catalog ID
STK663405
SMILES CCOC(=O)C1=NN(C2(S1)C=CC(=NN2c1ccccc1)c1ccc(cc1)Br)c1ccc(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 C26H20BrN5O4S MW 578.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20BrN5O4S/c1-2-36-25(33)24-29-31(21-12-14-22(15-13-21)32(34)35)26(37-24)17-16-23(18-8-10-19(27)11-9-18)28-30(26)20-6-4-3-5-7-20/h3-17H,2H2,1H3InChIKey
QDQXTWULCRQEGG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)C=CC(=NN2c1ccccc1)c1ccc(cc1)Br)c1ccc(cc1)(N+)(=O)(O)
CCOC(=O)C1=NN(C2(S1)C=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)(N+)(=O)(O)
ethyl8(4bromophenyl)1(4nitrophenyl)6phenyl4thia1267tetraazaspiro(45)deca279triene3carboxylate
ethyl8(4bromophenyl)4(4nitrophenyl)10phenyl1thia34910tetrazaspiro(45)deca268triene2carboxylate
InChI=1SC26H20BrN5O4Sc123625(33)242931(21121422(151321)32(34)35)26(3724)171623(1881019(27)11918)2830(26)206435720h317H2H21H3
MFCD02990286
ZINC000097999564
ZINC000097999565
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