Vitas-M small molecule compound
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}benzamide
Catalog ID
STK679268
SMILES N#Cc1c(NC(=O)c2cccc(c2)S(=O)(=O)N2CCN(CC2)c2ccc(cc2)F)sc2c1CCC(C2)C
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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 C27H27FN4O3S2 MW 538.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN4O3S2/c1-18-5-10-23-24(17-29)27(36-25(23)15-18)30-26(33)19-3-2-4-22(16-19)37(34,35)32-13-11-31(12-14-32)21-8-6-20(28)7-9-21/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,30,33)InChIKey
BJELQZSTIYWDIB-UHFFFAOYSA-NSynonyms
CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)F
InChI=1SC27H27FN4O3S2c1185102324(1729)27(3625(23)1518)3026(33)1932422(1619)37(3435)32131131(121432)218620(28)7921h24691618H51015H21H3(H3033)
MFCD03408974
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)3((4(4fluorophenyl)piperazin1yl)sulfonyl)benzamide
N(3cyano6methyl4567tetrahydro1benzothiophen2yl)3(4(4fluorophenyl)piperazin1yl)sulfonylbenzamide
ZINC000001050260
ZINC000001050263
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