Vitas-M small molecule compound
1-{1-(3-nitrophenyl)-6-phenyl-8-[4-(propan-2-yl)phenyl]-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl}ethanone
Catalog ID
STK733721
SMILES CC(=O)C1=NN(C2(S1)CCC(=NN2c1ccccc1)c1ccc(cc1)C(C)C)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 C28H27N5O3S MW 513.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3S/c1-19(2)21-12-14-22(15-13-21)26-16-17-28(31(29-26)23-8-5-4-6-9-23)32(30-27(37-28)20(3)34)24-10-7-11-25(18-24)33(35)36/h4-15,18-19H,16-17H2,1-3H3InChIKey
MKNSIIRBWFEISX-UHFFFAOYSA-NSynonyms
1(1(3nitrophenyl)6phenyl8(4(propan2yl)phenyl)4thia1267tetraazaspiro(45)deca27dien3yl)ethanone
1(4(3nitrophenyl)10phenyl8(4propan2ylphenyl)1thia34910tetrazaspiro(45)deca28dien2yl)ethanone
1(8(4isopropylphenyl)1(3nitrophenyl)6phenyl4thia1267tetraazaspiro(45)deca27dien3yl)ethanone
CC(=O)C1=NN(C2(S1)CCC(=NN2c1ccccc1)c1ccc(cc1)C(C)C)c1cccc(c1)(N+)(=O)(O)
CC(C)C1=CC=C(C=C1)C2=NN(C3(CC2)N(N=C(S3)C(=O)C)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC28H27N5O3Sc119(2)21121422(151321)26161728(31(2926)238546923)32(3027(3728)20(3)34)241071125(1824)33(35)36h4151819H1617H213H3
MFCD02985027
ZINC000013785492
ZINC000013785494
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