Vitas-M small molecule compound
1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-3-(thiophen-2-ylmethyl)-1H-indole
Catalog ID
STK775488
SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])Cc1cccs1
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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 C20H15N3O6S2 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O6S2/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/h2-8,10-12H,9H2,1H3InChIKey
OXCMWQKEZPGEGY-UHFFFAOYSA-NSynonyms
1((4methylphenyl)sulfonyl)46dinitro3(thiophen2ylmethyl)1Hindole
1(4METHYLPHENYL)SULFONYL46DINITRO3(THIOPHEN2YLMETHYL)INDOLE
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=C(C=C32)(N+)(=O)(O))(N+)(=O)(O))CC4=CC=CS4
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O))Cc1cccs1
InChI=1SC20H15N3O6S2c1134617(7513)31(2829)211214(9163283016)2018(21)1015(22(24)25)1119(20)23(26)27h281012H9H21H3
MFCD05257431
ZINC000012461884
ZINC12461884
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