Vitas-M small molecule compound

(2E)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

Catalog ID
STK105238
SMILES N#C/C(=C\c1cc(OC)c(cc1[N+](=O)[O-])OC)/C(=O)NCc1cccs1

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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 C17H15N3O5S MW 373.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O5S/c1-24-15-7-11(14(20(22)23)8-16(15)25-2)6-12(9-18)17(21)19-10-13-4-3-5-26-13/h3-8H,10H2,1-2H3,(H,19,21)/b12-6+
InChIKey
UQFVBHZZMGAUNB-WUXMJOGZSA-N
Synonyms

(2E)2CYANO3(45DIMETHOXY2NITROPHENYL)N(THIOPHEN2YLMETHYL)PROP2ENAMIDE
(E)2CYANO3(45DIMETHOXY2NITROPHENYL)N(THIOPHEN2YLMETHYL)PROP2ENAMIDE
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NCC2=CC=CS2)(N+)(=O)(O))OC
InChI=1SC17H15N3O5Sc12415711(14(20(22)23)816(15)252)612(918)17(21)1910134352613h38H10H212H3(H1921)b126+
MFCD02195450
N#CC(=Cc1cc(OC)c(cc1(N+)(=O)(O))OC)C(=O)NCc1cccs1
ZINC000004679941
ZINC04679941
ZINC4679941

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Available files

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