Vitas-M small molecule compound

5-nitro-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione

Catalog ID
STK295635
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)Sc1ccc(cc1)[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 C20H11N3O6S MW 421.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11N3O6S/c24-19-17-10-5-14(23(28)29)11-18(17)20(25)21(19)12-1-6-15(7-2-12)30-16-8-3-13(4-9-16)22(26)27/h1-11H
InChIKey
AMGLQORHTXCQJE-UHFFFAOYSA-N
Synonyms

5nitro2(4((4nitrophenyl)sulfanyl)phenyl)1Hisoindole13(2H)dione
5NITRO2(4(4NITROPHENYL)SULFANYLPHENYL)ISOINDOLE13DIONE
5NITRO2(4(4NITROPHENYLSULFANYL)PHENYL)ISOINDOLE13DIONE
C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O))SC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H11N3O6Sc24191710514(23(28)29)1118(17)20(25)21(19)121615(7212)30168313(4916)22(26)27h111H
MFCD00335218
O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)Sc1ccc(cc1)(N+)(=O)(O))(N+)(=O)(O)
ZINC000003150570
ZINC03150570
ZINC3150570

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Available files

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