Vitas-M small molecule compound
ethyl 8-(4-bromophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate
Catalog ID
STK733734
SMILES CCOC(=O)C1=NN(C2(S1)C=CC(=NN2c1ccccc1)c1ccc(cc1)Br)c1ccccc1[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(22-10-6-7-11-23(22)32(34)35)26(37-24)17-16-21(18-12-14-19(27)15-13-18)28-30(26)20-8-4-3-5-9-20/h3-17H,2H2,1H3InChIKey
XZJYARVSIANNGT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)C=CC(=NN2c1ccccc1)c1ccc(cc1)Br)c1ccccc1(N+)(=O)(O)
CCOC(=O)C1=NN(C2(S1)C=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Br)C5=CC=CC=C5(N+)(=O)(O)
ethyl8(4bromophenyl)1(2nitrophenyl)6phenyl4thia1267tetraazaspiro(45)deca279triene3carboxylate
ethyl8(4bromophenyl)4(2nitrophenyl)10phenyl1thia34910tetrazaspiro(45)deca268triene2carboxylate
InChI=1SC26H20BrN5O4Sc123625(33)242931(2210671123(22)32(34)35)26(3724)171621(18121419(27)151318)2830(26)208435920h317H2H21H3
MFCD02991672
ZINC000102659821
ZINC000102659822
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