Vitas-M small molecule compound
ethyl {2-[(7Z)-7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}acetate
Catalog ID
STK993737
SMILES CCOC(=O)Cc1csc(n1)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 C27H25F2N3O2S MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25F2N3O2S/c1-2-34-24(33)15-22-16-35-27(30-22)32-26(18-8-12-21(29)13-9-18)23-5-3-4-19(25(23)31-32)14-17-6-10-20(28)11-7-17/h6-14,16,23,26H,2-5,15H2,1H3/b19-14-InChIKey
MBUSXFAYWXVYRC-RGEXLXHISA-NSynonyms
CCOC(=O)CC1=CSC(=N1)N2C(C3CCCC(=CC4=CC=C(C=C4)F)C3=N2)C5=CC=C(C=C5)F
CCOC(=O)Cc1csc(n1)N1N=C2C(C1c1ccc(cc1)F)CCCC2=Cc1ccc(cc1)F
ethyl(2((7Z)7(4fluorobenzylidene)3(4fluorophenyl)33a4567hexahydro2Hindazol2yl)13thiazol4yl)acetate
ethyl2(2((7Z)3(4fluorophenyl)7((4fluorophenyl)methylidene)3a456tetrahydro3Hindazol2yl)13thiazol4yl)acetate
InChI=1SC27H25F2N3O2Sc123424(33)1522163527(3022)3226(1881221(29)13918)2353419(25(23)3132)141761020(28)11717h614162326H2515H21H3b1914
MFCD18185002
ZINC000051330490
ZINC000051330495
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