Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(cyanomethyl)prop-2-enamide
Catalog ID
STK037421
SMILES N#CCNC(=O)/C=C/c1ccc2c(c1)OCO2
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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 C12H10N2O3 MW 230.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N2O3/c13-5-6-14-12(15)4-2-9-1-3-10-11(7-9)17-8-16-10/h1-4,7H,6,8H2,(H,14,15)/b4-2+InChIKey
LLNDJXDJFCGUHZ-DUXPYHPUSA-NSynonyms
(2E)3(13BENZODIOXOL5YL)N(CYANOMETHYL)PROP2ENAMIDE
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)N(CYANOMETHYL)PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(CYANOMETHYL)PROP2ENAMIDE
C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCC#N
InChI=1SC12H10N2O3c13561412(15)429131011(79)1781610h147H68H2(H1415)b42+
MFCD02188291
N#CCNC(=O)C=Cc1ccc2c(c1)OCO2
STK037421
ZINC000004508203
ZINC04508203
ZINC4508203
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