Vitas-M small molecule compound
diethyl 1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL175911
SMILES CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C\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 C30H31N5O5 MW 541.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O5/c1-3-39-29(37)26-28(30(38)40-4-2)34(33-31-26)19-24(36)35-27(21-14-9-6-10-15-21)23-17-11-16-22(25(23)32-35)18-20-12-7-5-8-13-20/h5-10,12-15,18,23,27H,3-4,11,16-17,19H2,1-2H3/b22-18+InChIKey
RWMRFCIGNRUENW-RELWKKBWSA-NSynonyms
512813-97-7512813977
CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5)C(=O)OCC
CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
diethyl1(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)2oxoethyl)1H123triazole45dicarboxylate
DIETHYL1(2((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)TRIAZOLE45DICARBOXYLATE
InChI=1SC30H31N5O5c133929(37)2628(30(38)4042)34(333126)1924(36)3527(211496101521)2317111622(25(23)3235)1820127581320h5101215182327H3411161719H212H3b2218+
MFCD03466809
ZINC000008454983
ZINC000008454986
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