Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)prop-2-enamide
Catalog ID
STK019955
SMILES O=C(Nc1cc(ccc1Cl)[N+](=O)[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 C16H11ClN2O5 MW 346.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN2O5/c17-12-4-3-11(19(21)22)8-13(12)18-16(20)6-2-10-1-5-14-15(7-10)24-9-23-14/h1-8H,9H2,(H,18,20)/b6-2+InChIKey
BDIKFBKKFIHXSB-QHHAFSJGSA-NSynonyms
349424-63-1(2E)3(13BENZODIOXOL5YL)N(2CHLORO5NITROPHENYL)PROP2ENAMIDE
(2E)3(2HBENZO(D)13DIOXOLAN5YL)N(2CHLORO5NITROPHENYL)PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(2CHLORO5NITROPHENYL)PROP2ENAMIDE
349424631
C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=C(C=CC(=C3)(N+)(=O)(O))Cl
InChI=1SC16H11ClN2O5c17124311(19(21)22)813(12)1816(20)6210151415(710)2492314h18H9H2(H1820)b62+
MFCD02039092
O=C(Nc1cc(ccc1Cl)(N+)(=O)(O))C=Cc1ccc2c(c1)OCO2
STK019955
ZINC000000441509
ZINC00441509
ZINC441509
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