Vitas-M small molecule compound

5-(2,6-dichlorophenyl)-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
STK305036
SMILES CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl

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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 C36H34Cl2N6O5 MW 701.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34Cl2N6O5/c1-3-48-24-15-11-21(12-16-24)19-23-7-5-8-26-30(23)40-44(32(26)22-13-17-25(18-14-22)49-4-2)29(45)20-42-34-31(39-41-42)35(46)43(36(34)47)33-27(37)9-6-10-28(33)38/h6,9-19,26,31-32,34H,3-5,7-8,20H2,1-2H3/b23-19+
InChIKey
JZNCMPJGWZPAKN-FCDQGJHFSA-N
Synonyms
1025149-55-6
1025149556
5(26dichlorophenyl)1(2((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(26DICHLOROPHENYL)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=C(C=CC=C7Cl)Cl)N=N5
CCOc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(Cl)cccc1Cl
InChI=1SC36H34Cl2N6O5c134824151121(121624)19237582630(23)4044(32(26)22131725(181422)4942)29(45)20423431(394142)35(46)43(36(34)47)3327(37)961028(33)38h691926313234H357820H212H3b2319+
MFCD04049532
ZINC000150387105
ZINC000252430788

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Available files

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