Vitas-M small molecule compound
(3Z)-3-(furan-2-ylmethylidene)-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-2,3-dihydro-1H-indole
Catalog ID
STK774249
SMILES Cc1ccc(cc1)S(=O)(=O)N1C/C(=C\c2ccco2)/c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-]
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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 C20H15N3O7S MW 441.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O7S/c1-13-4-6-17(7-5-13)31(28,29)21-12-14(9-16-3-2-8-30-16)20-18(21)10-15(22(24)25)11-19(20)23(26)27/h2-11H,12H2,1H3/b14-9+InChIKey
UONVEOMOPWCALX-NTEUORMPSA-NSynonyms
(3Z)3(furan2ylmethylidene)1((4methylphenyl)sulfonyl)46dinitro23dihydro1Hindole
(3Z)3(FURAN2YLMETHYLIDENE)1(4METHYLPHENYL)SULFONYL46DINITRO2HINDOLE
CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC=CO3)C4=C(C=C(C=C42)(N+)(=O)(O))(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CC(=Cc2ccco2)c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC20H15N3O7Sc1134617(7513)31(2829)211214(9163283016)2018(21)1015(22(24)25)1119(20)23(26)27h211H12H21H3b149+
MFCD04060470
ZINC000012461815
ZINC12461815
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