Vitas-M small molecule compound

ethyl 8-(4-ethylphenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate

Catalog ID
STK733726
SMILES CCOC(=O)C1=NN(C2(S1)C=CC(=NN2c1ccccc1)c1ccc(cc1)CC)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 C28H25N5O4S MW 527.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O4S/c1-3-20-14-16-21(17-15-20)23-18-19-28(31(29-23)22-10-6-5-7-11-22)32(30-26(38-28)27(34)37-4-2)24-12-8-9-13-25(24)33(35)36/h5-19H,3-4H2,1-2H3
InChIKey
ASBROZSMOZBREZ-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C2=NN(C3(C=C2)N(N=C(S3)C(=O)OCC)C4=CC=CC=C4(N+)(=O)(O))C5=CC=CC=C5
CCOC(=O)C1=NN(C2(S1)C=CC(=NN2c1ccccc1)c1ccc(cc1)CC)c1ccccc1(N+)(=O)(O)
ethyl8(4ethylphenyl)1(2nitrophenyl)6phenyl4thia1267tetraazaspiro(45)deca279triene3carboxylate
ethyl8(4ethylphenyl)4(2nitrophenyl)10phenyl1thia34910tetrazaspiro(45)deca268triene2carboxylate
InChI=1SC28H25N5O4Sc1320141621(171520)23181928(31(2923)22106571122)32(3026(3828)27(34)3742)2412891325(24)33(35)36h519H34H212H3
MFCD02996489
ZINC000097951197
ZINC000097951198

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Available files

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