Vitas-M small molecule compound
(2E)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
Catalog ID
STK209271
SMILES O=C(Nc1cc(ccc1C)c1nc2c(o1)ccc(c2)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 C28H21N3O5 MW 479.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O5/c1-17-7-12-26-23(15-17)30-28(36-26)19-9-8-18(2)22(16-19)29-27(32)14-11-20-10-13-25(35-20)21-5-3-4-6-24(21)31(33)34/h3-16H,1-2H3,(H,29,32)/b14-11+InChIKey
XIZPWOMLJRKQLL-SDNWHVSQSA-NSynonyms
(2E)N(2METHYL5(5METHYL13BENZOXAZOL2YL)PHENYL)3(5(2NITROPHENYL)FURAN2YL)PROP2ENAMIDE
(E)N(2methyl5(5methyl13benzoxazol2yl)phenyl)3(5(2nitrophenyl)furan2yl)prop2enamide
CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=O)C=CC4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O)
InChI=1SC28H21N3O5c1177122623(1517)3028(3626)199818(2)22(1619)2927(32)141120101325(3520)21534624(21)31(33)34h316H12H3(H2932)b1411+
MFCD07143970
O=C(Nc1cc(ccc1C)c1nc2c(o1)ccc(c2)C)C=Cc1ccc(o1)c1ccccc1(N+)(=O)(O)
ZINC000010035098
ZINC10035098
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