Vitas-M small molecule compound
[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-methyl-1,3-thiazol-5-yl)methanone
Catalog ID
STL176106
SMILES O=C(c1scnc1C)N1N=C2C(C1c1ccco1)CCC/C/2=C\c1ccco1
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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 C21H19N3O3S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S/c1-13-20(28-12-22-13)21(25)24-19(17-8-4-10-27-17)16-7-2-5-14(18(16)23-24)11-15-6-3-9-26-15/h3-4,6,8-12,16,19H,2,5,7H2,1H3/b14-11+InChIKey
NJCKWZGDGNSPHK-SDNWHVSQSA-NSynonyms
512817-20-8((7E)3(furan2yl)7(furan2ylmethylidene)33a4567hexahydro2Hindazol2yl)(4methyl13thiazol5yl)methanone
((7E)3(FURAN2YL)7(FURAN2YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4METHYL13THIAZOL5YL)METHANONE
512817208
CC1=C(SC=N1)C(=O)N2C(C3CCCC(=CC4=CC=CO4)C3=N2)C5=CC=CO5
InChI=1SC21H19N3O3Sc11320(28122213)21(25)2419(1784102717)1672514(18(16)2324)11156392615h3468121619H257H21H3b1411+
MFCD03467948
O=C(c1scnc1C)N1N=C2C(C1c1ccco1)CCCC2=Cc1ccco1
ZINC000013881942
ZINC000013881945
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