Vitas-M small molecule compound
(2E)-N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
Catalog ID
STK206438
SMILES O=C(Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Cl)C)/C=C/c1ccc(o1)c1ccccc1[N+](=O)[O-]
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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 C27H18ClN3O5 MW 499.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClN3O5/c1-16-6-7-17(14-21(16)28)27-30-22-15-18(8-11-25(22)36-27)29-26(32)13-10-19-9-12-24(35-19)20-4-2-3-5-23(20)31(33)34/h2-15H,1H3,(H,29,32)/b13-10+InChIKey
WMXBVFLGWCVJJC-JLHYYAGUSA-NSynonyms
(2E)N(2(3CHLORO4METHYLPHENYL)13BENZOXAZOL5YL)3(5(2NITROPHENYL)FURAN2YL)PROP2ENAMIDE
(E)N(2(3chloro4methylphenyl)13benzoxazol5yl)3(5(2nitrophenyl)furan2yl)prop2enamide
CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C=CC4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O))Cl
InChI=1SC27H18ClN3O5c1166717(1421(16)28)2730221518(81125(22)3627)2926(32)13101991224(3519)20423523(20)31(33)34h215H1H3(H2932)b1310+
MFCD06666869
O=C(Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Cl)C)C=Cc1ccc(o1)c1ccccc1(N+)(=O)(O)
ZINC000009972114
ZINC09972114
ZINC9972114
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