Vitas-M small molecule compound
8-(4-ethylphenyl)-3-(4-nitrophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene
Catalog ID
STK733724
SMILES CCc1ccc(cc1)C1=NN(C2(C=C1)SC(=NN2c1ccccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
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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 C31H25N5O2S MW 531.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N5O2S/c1-2-23-13-15-24(16-14-23)29-21-22-31(34(32-29)26-9-5-3-6-10-26)35(27-11-7-4-8-12-27)33-30(39-31)25-17-19-28(20-18-25)36(37)38/h3-22H,2H2,1H3InChIKey
RGXFWOACSYKXFI-UHFFFAOYSA-NSynonyms
8(4ethylphenyl)2(4nitrophenyl)410diphenyl1thia34910tetrazaspiro(45)deca268triene
8(4ethylphenyl)3(4nitrophenyl)16diphenyl4thia1267tetraazaspiro(45)deca279triene
CCC1=CC=C(C=C1)C2=NN(C3(C=C2)N(N=C(S3)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5)C6=CC=CC=C6
CCc1ccc(cc1)C1=NN(C2(C=C1)SC(=NN2c1ccccc1)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
InChI=1SC31H25N5O2Sc1223131524(161423)29212231(34(3229)2695361026)35(27117481227)3330(3931)25171928(201825)36(37)38h322H2H21H3
MFCD02992020
ZINC000097951134
ZINC000097951135
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