Vitas-M small molecule compound
4-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzenesulfonate
Catalog ID
STK379037
SMILES N#C/C(=C\c1ccc(c(c1)OC)OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/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 C17H13N3O7S MW 403.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O7S/c1-26-16-9-11(8-12(10-18)17(19)21)2-7-15(16)27-28(24,25)14-5-3-13(4-6-14)20(22)23/h2-9H,1H3,(H2,19,21)/b12-8+InChIKey
MJLHMLLEMMXMPP-XYOKQWHBSA-NSynonyms
(4((E)3AMINO2CYANO3OXOPROP1ENYL)2METHOXYPHENYL)4NITROBENZENESULFONATE
4((1E)2CARBAMOYL2CYANOVINYL)2METHOXYPHENYL4NITROBENZENESULFONATE
4((1E)3amino2cyano3oxoprop1en1yl)2methoxyphenyl4nitrobenzenesulfonate
COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OS(=O)(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC17H13N3O7Sc12616911(812(1018)17(19)21)2715(16)2728(2425)145313(4614)20(22)23h29H1H3(H21921)b128+
MFCD02067514
N#CC(=Cc1ccc(c(c1)OC)OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))C(=O)N
ZINC000008843251
ZINC08843251
ZINC8843251
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