Vitas-M small molecule compound
1-[8-(2,5-dimethylphenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl]ethanone
Catalog ID
STK545981
SMILES Cc1ccc(c(c1)C1=NN(C2(CC1)SC(=NN2c1ccccc1[N+](=O)[O-])C(=O)C)c1ccccc1)C
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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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-18-13-14-19(2)22(17-18)23-15-16-27(30(28-23)21-9-5-4-6-10-21)31(29-26(36-27)20(3)33)24-11-7-8-12-25(24)32(34)35/h4-14,17H,15-16H2,1-3H3InChIKey
HNBUVTZLCQQPBK-UHFFFAOYSA-NSynonyms
1(8(25dimethylphenyl)1(2nitrophenyl)6phenyl4thia1267tetraazaspiro(45)deca27dien3yl)ethanone
1(8(25dimethylphenyl)4(2nitrophenyl)10phenyl1thia34910tetrazaspiro(45)deca28dien2yl)ethanone
CC1=CC(=C(C=C1)C)C2=NN(C3(CC2)N(N=C(S3)C(=O)C)C4=CC=CC=C4(N+)(=O)(O))C5=CC=CC=C5
Cc1ccc(c(c1)C1=NN(C2(CC1)SC(=NN2c1ccccc1(N+)(=O)(O))C(=O)C)c1ccccc1)C
InChI=1SC27H25N5O3Sc118131419(2)22(1718)23151627(30(2823)2195461021)31(2926(3627)20(3)33)2411781225(24)32(34)35h41417H1516H213H3
MFCD02990915
ZINC000008921570
ZINC000009348378
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