Vitas-M small molecule compound
ethyl 3-acetyl-8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Catalog ID
STK998278
SMILES CCOC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccccc1[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(16-10-6-5-7-11-16)22(32-19)25(23-20(33-22)15(3)27)17-12-8-9-13-18(17)26(29)30/h5-13H,4H2,1-3H3InChIKey
BVECPVKRONHYTF-UHFFFAOYSA-NSynonyms
670263-60-2670263602
CCOC(=O)C1=C(C)N(C2(S1)SC(=NN2c1ccccc1(N+)(=O)(O))C(=O)C)c1ccccc1
CCOC(=O)C1=C(N(C2(S1)N(N=C(S2)C(=O)C)C3=CC=CC=C3(N+)(=O)(O))C4=CC=CC=C4)C
ethyl2acetyl8methyl4(2nitrophenyl)9phenyl16dithia349triazaspiro(44)nona27diene7carboxylate
ethyl3acetyl8methyl1(2nitrophenyl)9phenyl46dithia129triazaspiro(44)nona27diene7carboxylate
ETHYL8ACETYL2METHYL6(2NITROPHENYL)1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE3CARBOXYLATE
InChI=1SC22H20N4O5S2c143121(28)1914(2)24(16106571116)22(3219)25(2320(3322)15(3)27)1712891318(17)26(29)30h513H4H213H3
MFCD03669959
ZINC000009075294
ZINC000009076512
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