Vitas-M small molecule compound
ethyl 3-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Catalog ID
STL001708
SMILES CCOC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccc(cc1)[N+](=O)[O-])C(=O)C)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 C22H20N4O5S2 MW 484.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5S2/c1-4-31-21(28)19-14(2)24(16-8-6-5-7-9-16)22(32-19)25(23-20(33-22)15(3)27)17-10-12-18(13-11-17)26(29)30/h5-13H,4H2,1-3H3InChIKey
CXGRLIJKKRRBSS-UHFFFAOYSA-NSynonyms
670263-64-6670263646
CCOC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccc(cc1)(N+)(=O)(O))C(=O)C)c1ccccc1
CCOC(=O)C1=C(N(C2(S1)N(N=C(S2)C(=O)C)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4)C
ethyl2acetyl8methyl4(4nitrophenyl)9phenyl16dithia349triazaspiro(44)nona27diene7carboxylate
ethyl3acetyl8methyl1(4nitrophenyl)9phenyl46dithia129triazaspiro(44)nona27diene7carboxylate
ETHYL8ACETYL2METHYL6(4NITROPHENYL)1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE3CARBOXYLATE
InChI=1SC22H20N4O5S2c143121(28)1914(2)24(168657916)22(3219)25(2320(3322)15(3)27)17101218(131117)26(29)30h513H4H213H3
MFCD03671204
ZINC000009076523
ZINC000009076524
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