Vitas-M small molecule compound
(2E)-3-(4-chloro-3-nitrophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]prop-2-enamide
Catalog ID
STK729912
SMILES O=C(Nc1ccc2c(c1)nc(o2)c1ccncc1)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C21H13ClN4O4 MW 420.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN4O4/c22-16-4-1-13(11-18(16)26(28)29)2-6-20(27)24-15-3-5-19-17(12-15)25-21(30-19)14-7-9-23-10-8-14/h1-12H,(H,24,27)/b6-2+InChIKey
JMSIVCUIDAKKPZ-QHHAFSJGSA-NSynonyms
(2E)3(4chloro3nitrophenyl)N(2(pyridin4yl)13benzoxazol5yl)prop2enamide
(E)3(4chloro3nitrophenyl)N(2(pyridin4yl)benzo(d)oxazol5yl)acrylamide
(E)3(4CHLORO3NITROPHENYL)N(2PYRIDIN4YL13BENZOXAZOL5YL)PROP2ENAMIDE
C1=CC(=C(C=C1C=CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)(N+)(=O)(O))Cl
InChI=1SC21H13ClN4O4c22164113(1118(16)26(28)29)2620(27)2415351917(1215)2521(3019)14792310814h112H(H2427)b62+
MFCD02997215
O=C(Nc1ccc2c(c1)nc(o2)c1ccncc1)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000009236929
ZINC09236929
ZINC9236929
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