Vitas-M small molecule compound
ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate
Catalog ID
STK547775
SMILES CCOC(=O)C1=NN(C2(S1)CCC(=NN2c1ccccc1)c1cc(C)ccc1C)c1cccc(c1)[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 C28H27N5O4S MW 529.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4S/c1-4-37-27(34)26-30-32(22-11-8-12-23(18-22)33(35)36)28(38-26)16-15-25(24-17-19(2)13-14-20(24)3)29-31(28)21-9-6-5-7-10-21/h5-14,17-18H,4,15-16H2,1-3H3InChIKey
HEKFVSFGBWYDGC-UHFFFAOYSA-NSynonyms
380871-93-2380871932
CCOC(=O)C1=NN(C2(S1)CCC(=NN2c1ccccc1)c1cc(C)ccc1C)c1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1=NN(C2(S1)CCC(=NN2C3=CC=CC=C3)C4=C(C=CC(=C4)C)C)C5=CC(=CC=C5)(N+)(=O)(O)
ethyl8(25dimethylphenyl)1(3nitrophenyl)6phenyl4thia1267tetraazaspiro(45)deca27diene3carboxylate
ethyl8(25dimethylphenyl)4(3nitrophenyl)10phenyl1thia34910tetrazaspiro(45)deca28diene2carboxylate
InChI=1SC28H27N5O4Sc143727(34)263032(221181223(1822)33(35)36)28(3826)161525(241719(2)131420(24)3)2931(28)2196571021h5141718H41516H213H3
MFCD02991549
ZINC000097951754
ZINC000097951755
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