Vitas-M small molecule compound
ethyl (2Z)-3-[7-methoxy-3-(4-nitrophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]but-2-enoate
Catalog ID
STK767973
SMILES CCOC(=O)/C=C(\N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCc1c2ccc(c1)OC)/C
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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 C24H25N3O5 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O5/c1-4-32-22(28)13-15(2)26-24(16-5-8-18(9-6-16)27(29)30)21-11-7-17-14-19(31-3)10-12-20(17)23(21)25-26/h5-6,8-10,12-14,21,24H,4,7,11H2,1-3H3/b15-13-InChIKey
LEEWAGAMSISGKO-SQFISAMPSA-NSynonyms
CCOC(=O)C=C(C)N1C(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=C(C=C4)(N+)(=O)(O)
CCOC(=O)C=C(N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))CCc1c2ccc(c1)OC)C
ethyl(2Z)3(7methoxy3(4nitrophenyl)33a45tetrahydro2Hbenzo(g)indazol2yl)but2enoate
ETHYL(Z)3(7METHOXY3(4NITROPHENYL)33A45TETRAHYDROBENZO(G)INDAZOL2YL)BUT2ENOATE
InChI=1SC24H25N3O5c143222(28)1315(2)2624(165818(9616)27(29)30)21117171419(313)101220(17)23(21)2526h5681012142124H4711H213H3b1513
MFCD02153149
ZINC000008856941
ZINC000100115016
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