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-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL176568
SMILES CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)CC
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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 C38H40N6O5 MW 660.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H40N6O5/c1-4-24-10-16-28(17-11-24)43-37(46)34-36(38(43)47)42(41-39-34)23-32(45)44-35(26-14-20-30(21-15-26)49-6-3)31-9-7-8-27(33(31)40-44)22-25-12-18-29(19-13-25)48-5-2/h10-22,31,34-36H,4-9,23H2,1-3H3/b27-22+InChIKey
NUJNPRJBKCIGMP-HPNDGRJYSA-NSynonyms
1024892-42-91(2((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(4ethylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024892429
3(2((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(4ETHYLPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(C5CCCC(=CC6=CC=C(C=C6)OCC)C5=N4)C7=CC=C(C=C7)OCC
CCOc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)CC
InChI=1SC38H40N6O5c1424101628(171124)4337(46)3436(38(43)47)42(413934)2332(45)4435(26142030(211526)4963)3197827(33(31)4044)2225121829(191325)4852h1022313436H4923H213H3b2722+
MFCD04049547
ZINC000150393836
ZINC000252430838
Check stock
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