Vitas-M small molecule compound
2-[(Z)-{1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1,2-dihydro-3H-indol-3-ylidene}methyl]-4-nitrophenol
Catalog ID
STK683383
SMILES Cc1ccc(cc1)S(=O)(=O)N1C/C(=C\c2cc(ccc2O)[N+](=O)[O-])/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 C22H16N4O9S MW 512.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O9S/c1-13-2-5-18(6-3-13)36(34,35)23-12-15(8-14-9-16(24(28)29)4-7-21(14)27)22-19(23)10-17(25(30)31)11-20(22)26(32)33/h2-11,27H,12H2,1H3/b15-8+InChIKey
BHDYQDFZUZUFGR-OVCLIPMQSA-NSynonyms
2((Z)(1((4methylphenyl)sulfonyl)46dinitro12dihydro3Hindol3ylidene)methyl)4nitrophenol
2((Z)(1(4METHYLPHENYL)SULFONYL46DINITRO2HINDOL3YLIDENE)METHYL)4NITROPHENOL
CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=C(C=CC(=C3)(N+)(=O)(O))O)C4=C(C=C(C=C42)(N+)(=O)(O))(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CC(=Cc2cc(ccc2O)(N+)(=O)(O))c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC22H16N4O9Sc1132518(6313)36(3435)231215(814916(24(28)29)4721(14)27)2219(23)1017(25(30)31)1120(22)26(32)33h21127H12H21H3b158+
MFCD05257681
ZINC000100157760
ZINC100157760
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Check stock on Vitas-MAvailable files
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