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-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK305074
SMILES CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccccc1
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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 C36H36N6O5 MW 632.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N6O5/c1-3-46-27-17-13-23(14-18-27)21-25-9-8-12-29-31(25)38-42(33(29)24-15-19-28(20-16-24)47-4-2)30(43)22-40-34-32(37-39-40)35(44)41(36(34)45)26-10-6-5-7-11-26/h5-7,10-11,13-21,29,32-34H,3-4,8-9,12,22H2,1-2H3/b25-21+InChIKey
KIUZNQOLRANPCB-NJNXFGOHSA-NSynonyms
1024892-35-01(2((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5phenyl3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024892350
3(2((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5PHENYL3A6ADIHYDROPYRROLO(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)N=N5
CCOc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccccc1
InChI=1SC36H36N6O5c134627171323(141827)212598122931(25)3842(33(29)24151928(201624)4742)30(43)22403432(373940)35(44)41(36(34)45)26106571126h5710111321293234H34891222H212H3b2521+
MFCD04049534
ZINC000101999997
ZINC000252430793
Check stock
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