Vitas-M small molecule compound
5-(3-bromophenyl)-1-{2-[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK305022
SMILES CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)Br
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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 C36H35BrN6O5 MW 711.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H35BrN6O5/c1-3-47-27-15-11-22(12-16-27)19-24-7-5-10-29-31(24)39-43(33(29)23-13-17-28(18-14-23)48-4-2)30(44)21-41-34-32(38-40-41)35(45)42(36(34)46)26-9-6-8-25(37)20-26/h6,8-9,11-20,29,32-34H,3-5,7,10,21H2,1-2H3/b24-19+InChIKey
BKYUNPXAKQEGAG-LYBHJNIJSA-NSynonyms
1025149-26-11025149261
5(3bromophenyl)1(2((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(3BROMOPHENYL)3(2((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)3A6ADIHYDROPYRROLO(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(=CC=C7)Br)N=N5
CCOc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)Br
InChI=1SC36H35BrN6O5c134727151122(121627)192475102931(24)3943(33(29)23131728(181423)4842)30(44)21413432(384041)35(45)42(36(34)46)2696825(37)2026h6891120293234H3571021H212H3b2419+
MFCD04049530
ZINC000150387060
ZINC000252430636
Check stock
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