Vitas-M small molecule compound

2-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-4-bromophenyl 4-methylbenzenesulfonate

Catalog ID
STK362102
SMILES N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(cc1)C)/C(=O)N

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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 C17H13BrN2O4S MW 421.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN2O4S/c1-11-2-5-15(6-3-11)25(22,23)24-16-7-4-14(18)9-12(16)8-13(10-19)17(20)21/h2-9H,1H3,(H2,20,21)/b13-8+
InChIKey
CVRNRFSMHOGWPR-MDWZMJQESA-N
Synonyms

(2((E)3AMINO2CYANO3OXOPROP1ENYL)4BROMOPHENYL)4METHYLBENZENESULFONATE
2((1E)2CARBAMOYL2CYANOVINYL)4BROMOPHENYL4METHYLBENZENESULFONATE
2((1E)3AMINO2CYANO3OXOPROP1EN1YL)4BROMOPHENYL4METHYLBENZENESULFONATE
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C(C#N)C(=O)N
InChI=1SC17H13BrN2O4Sc1112515(6311)25(2223)24167414(18)912(16)813(1019)17(20)21h29H1H3(H22021)b138+
MFCD02067513
N#CC(=Cc1cc(Br)ccc1OS(=O)(=O)c1ccc(cc1)C)C(=O)N
ZINC000002949988
ZINC02949988
ZINC2949988

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Available files

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