Vitas-M small molecule compound

{3-[(4-methyl-3-nitrophenyl)sulfonyl]-2-(propan-2-yl)imidazolidin-1-yl}(phenyl)methanone

Catalog ID
STK135667
SMILES CC(C1N(CCN1S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)C(=O)c1ccccc1)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 C20H23N3O5S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5S/c1-14(2)19-21(20(24)16-7-5-4-6-8-16)11-12-22(19)29(27,28)17-10-9-15(3)18(13-17)23(25)26/h4-10,13-14,19H,11-12H2,1-3H3
InChIKey
HBQHOPAFPCWZLX-UHFFFAOYSA-N
Synonyms

(3((4METHYL3NITROPHENYL)SULFONYL)2(PROPAN2YL)IMIDAZOLIDIN1YL)(PHENYL)METHANONE
(3(4METHYL3NITROPHENYL)SULFONYL2PROPAN2YLIMIDAZOLIDIN1YL)PHENYLMETHANONE
CC(C1N(CCN1S(=O)(=O)c1ccc(c(c1)(N+)(=O)(O))C)C(=O)c1ccccc1)C
CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(C2C(C)C)C(=O)C3=CC=CC=C3)(N+)(=O)(O)
InChI=1SC20H23N3O5Sc114(2)1921(20(24)167546816)111222(19)29(2728)1710915(3)18(1317)23(25)26h410131419H1112H213H3
MFCD01615275
ZINC000004681133
ZINC000004681134

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Available files

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