Vitas-M small molecule compound
1-{1-(4-nitrophenyl)-6-phenyl-8-[4-(propan-2-yl)phenyl]-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-trien-3-yl}ethanone
Catalog ID
STK997464
SMILES CC(c1ccc(cc1)C1=NN(C2(C=C1)SC(=NN2c1ccc(cc1)[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 C28H25N5O3S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O3S/c1-19(2)21-9-11-22(12-10-21)26-17-18-28(31(29-26)23-7-5-4-6-8-23)32(30-27(37-28)20(3)34)24-13-15-25(16-14-24)33(35)36/h4-19H,1-3H3InChIKey
WRBBLJZICAELSM-UHFFFAOYSA-NSynonyms
1(1(4nitrophenyl)6phenyl8(4(propan2yl)phenyl)4thia1267tetraazaspiro(45)deca279trien3yl)ethanone
1(4(4nitrophenyl)10phenyl8(4propan2ylphenyl)1thia34910tetrazaspiro(45)deca268trien2yl)ethanone
1(8(4isopropylphenyl)1(4nitrophenyl)6phenyl4thia1267tetraazaspiro(45)deca279trien3yl)ethanone
CC(C)C1=CC=C(C=C1)C2=NN(C3(C=C2)N(N=C(S3)C(=O)C)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5
CC(c1ccc(cc1)C1=NN(C2(C=C1)SC(=NN2c1ccc(cc1)(N+)(=O)(O))C(=O)C)c1ccccc1)C
InChI=1SC28H25N5O3Sc119(2)2191122(121021)26171828(31(2926)237546823)32(3027(3728)20(3)34)24131525(161424)33(35)36h419H13H3
MFCD02989315
ZINC000009310083
ZINC000009310084
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