Vitas-M small molecule compound
1-{2-[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(naphthalen-1-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK305083
SMILES CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc2c1cccc2
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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 C40H38N6O5 MW 682.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H38N6O5/c1-3-50-29-19-15-25(16-20-29)23-28-11-7-13-32-35(28)42-46(37(32)27-17-21-30(22-18-27)51-4-2)34(47)24-44-38-36(41-43-44)39(48)45(40(38)49)33-14-8-10-26-9-5-6-12-31(26)33/h5-6,8-10,12,14-23,32,36-38H,3-4,7,11,13,24H2,1-2H3/b28-23+InChIKey
IAXJIJFJJRYXTH-WEMUOSSPSA-NSynonyms
1025310-13-71(2((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(naphthalen1yl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025310137
3(2((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5NAPHTHALEN1YL3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)CN5C6C(C(=O)N(C6=O)C7=CC=CC8=CC=CC=C87)N=N5
CCOc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc2c1cccc2
InChI=1SC40H38N6O5c135029191525(162029)2328117133235(28)4246(37(32)27172130(221827)5142)34(47)24443836(414344)39(48)45(40(38)49)3314810269561231(26)33h56810121423323638H347111324H212H3b2823+
MFCD04049533
ZINC000150387132
ZINC000245325940
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