Vitas-M small molecule compound
ethyl (2E)-3-[8-methoxy-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]but-2-enoate
Catalog ID
STK806277
SMILES CCOC(=O)/C=C(/N1N=C2C(C1c1ccc(cc1)OC)CCc1c2cc(OC)cc1)\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 C25H28N2O4 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4/c1-5-31-23(28)14-16(2)27-25(18-7-10-19(29-3)11-8-18)21-13-9-17-6-12-20(30-4)15-22(17)24(21)26-27/h6-8,10-12,14-15,21,25H,5,9,13H2,1-4H3/b16-14+InChIKey
ALPYCYPVTVYESO-JQIJEIRASA-NSynonyms
371929-88-3(E)ethyl3(8methoxy3(4methoxyphenyl)33a45tetrahydro2Hbenzo(g)indazol2yl)but2enoate
371929883
CCOC(=O)C=C(C)N1C(C2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=C(C=C4)OC
CCOC(=O)C=C(N1N=C2C(C1c1ccc(cc1)OC)CCc1c2cc(OC)cc1)C
ethyl(2E)3(8methoxy3(4methoxyphenyl)33a45tetrahydro2Hbenzo(g)indazol2yl)but2enoate
ETHYL(E)3(8METHOXY3(4METHOXYPHENYL)33A45TETRAHYDROBENZO(G)INDAZOL2YL)BUT2ENOATE
InChI=1SC25H28N2O4c153123(28)1416(2)2725(1871019(293)11818)211391761220(304)1522(17)24(21)2627h68101214152125H5913H214H3b1614+
MFCD00558660
ZINC000000754887
ZINC000004785437
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