Vitas-M small molecule compound
(2E)-3-(4-chloro-3-nitrophenyl)-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]prop-2-enamide
Catalog ID
STK184130
SMILES O=C(Nc1ccc2c(c1)nc(o2)c1cccnc1)/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/c22-16-6-3-13(10-18(16)26(28)29)4-8-20(27)24-15-5-7-19-17(11-15)25-21(30-19)14-2-1-9-23-12-14/h1-12H,(H,24,27)/b8-4+InChIKey
OTJMMIGZMRCDGT-XBXARRHUSA-NSynonyms
(2E)3(4CHLORO3NITROPHENYL)N(2(PYRIDIN3YL)13BENZOXAZOL5YL)PROP2ENAMIDE
(E)3(4chloro3nitrophenyl)N(2(pyridin3yl)benzo(d)oxazol5yl)acrylamide
(E)3(4CHLORO3NITROPHENYL)N(2PYRIDIN3YL13BENZOXAZOL5YL)PROP2ENAMIDE
C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C=CC4=CC(=C(C=C4)Cl)(N+)(=O)(O)
InChI=1SC21H13ClN4O4c22166313(1018(16)26(28)29)4820(27)2415571917(1115)2521(3019)14219231214h112H(H2427)b84+
MFCD02991874
O=C(Nc1ccc2c(c1)nc(o2)c1cccnc1)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000001167885
ZINC01167885
ZINC1167885
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