Vitas-M small molecule compound
diethyl 1-{2-[(7E)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL175914
SMILES CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C2C(C1c1ccc(cc1)F)CCC/C/2=C\c1ccc(cc1)F
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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 C30H29F2N5O5 MW 577.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29F2N5O5/c1-3-41-29(39)26-28(30(40)42-4-2)36(35-33-26)17-24(38)37-27(19-10-14-22(32)15-11-19)23-7-5-6-20(25(23)34-37)16-18-8-12-21(31)13-9-18/h8-16,23,27H,3-7,17H2,1-2H3/b20-16+InChIKey
OTPJPMUYXVMECL-CAPFRKAQSA-NSynonyms
512813-79-5512813795
CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)F)C3=N2)C5=CC=C(C=C5)F)C(=O)OCC
CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C2C(C1c1ccc(cc1)F)CCCC2=Cc1ccc(cc1)F
DIETHYL1(2((7E)3(4FLUOROPHENYL)7((4FLUOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)TRIAZOLE45DICARBOXYLATE
diethyl1(2((7E)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)1H123triazole45dicarboxylate
InChI=1SC30H29F2N5O5c134129(39)2628(30(40)4242)36(353326)1724(38)3727(19101422(32)151119)2375620(25(23)3437)161881221(31)13918h8162327H3717H212H3b2016+
MFCD03466767
ZINC000008454966
ZINC000008454969
Check stock
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