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-(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK305106
SMILES CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccccc1OC
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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 C37H38N6O6 MW 662.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H38N6O6/c1-4-48-26-17-13-23(14-18-26)21-25-9-8-10-28-32(25)39-43(34(28)24-15-19-27(20-16-24)49-5-2)31(44)22-41-35-33(38-40-41)36(45)42(37(35)46)29-11-6-7-12-30(29)47-3/h6-7,11-21,28,33-35H,4-5,8-10,22H2,1-3H3/b25-21+InChIKey
UPQOTHSFPURJNB-NJNXFGOHSA-NSynonyms
1025151-73-81(2((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(2methoxyphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025151738
3(2((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(2METHOXYPHENYL)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=C7OC)N=N5
CCOc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccccc1OC
InChI=1SC37H38N6O6c144826171323(141826)212598102832(25)3943(34(28)24151927(201624)4952)31(44)22413533(384041)36(45)42(37(35)46)2911671230(29)473h671121283335H4581022H213H3b2521+
MFCD04049531
ZINC000150387079
ZINC000252430933
Check stock
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