Vitas-M small molecule compound
ethyl [5-cyano-4-(4-methylphenyl)-3-nitro-2-phenyl-3,4-dihydro-2H-thiopyran-6-yl]imidoformate
Catalog ID
STL412515
SMILES CCO/C=N/C1=C(C#N)C(C(C(S1)c1ccccc1)[N+](=O)[O-])c1ccc(cc1)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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c1-3-28-14-24-22-18(13-23)19(16-11-9-15(2)10-12-16)20(25(26)27)21(29-22)17-7-5-4-6-8-17/h4-12,14,19-21H,3H2,1-2H3/b24-14+InChIKey
TWLQYWPBHJODKX-ZVHZXABRSA-NSynonyms
1235708-10-71235708107
6((1E)2ETHOXY1AZAVINYL)4(4METHYLPHENYL)3NITRO2PHENYL23DIHYDRO4HTHIIN5CARBONITRILE
CCOC=NC1=C(C#N)C(C(C(S1)c1ccccc1)(N+)(=O)(O))c1ccc(cc1)C
CCOC=NC1=C(C(C(C(S1)C2=CC=CC=C2)(N+)(=O)(O))C3=CC=C(C=C3)C)C#N
ethyl(1E)N(5cyano4(4methylphenyl)3nitro2phenyl34dihydro2Hthiopyran6yl)methanimidate
ethyl(5cyano4(4methylphenyl)3nitro2phenyl34dihydro2Hthiopyran6yl)imidoformate
InChI=1SC22H21N3O3Sc132814242218(1323)19(1611915(2)101216)20(25(26)27)21(2922)177546817h412141921H3H212H3b2414+
MFCD09468150
ZINC000101636698
ZINC000226644048
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