Vitas-M small molecule compound
methyl 2-({3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK539545
SMILES COC(=O)c1c(Nc2nc3ccccc3nc2N2CCN(CC2)c2ccc(cc2)F)sc2c1CCCC2
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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 C28H28FN5O2S MW 517.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28FN5O2S/c1-36-28(35)24-20-6-2-5-9-23(20)37-27(24)32-25-26(31-22-8-4-3-7-21(22)30-25)34-16-14-33(15-17-34)19-12-10-18(29)11-13-19/h3-4,7-8,10-13H,2,5-6,9,14-17H2,1H3,(H,30,32)InChIKey
NMFCQMJBZZCVRD-UHFFFAOYSA-NSynonyms
384796-95-6384796956
COC(=O)C1=C(SC2=C1CCCC2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)C6=CC=C(C=C6)F
InChI=1SC28H28FN5O2Sc13628(35)2420625923(20)3727(24)322526(3122843721(22)3025)34161433(151734)19121018(29)111319h34781013H25691417H21H3(H3032)
methyl2((3(4(4fluorophenyl)piperazin1yl)quinoxalin2yl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((3(4(4fluorophenyl)piperazin1yl)quinoxalin2yl)amino)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03284170
ZINC000009086438
ZINC09086438
ZINC9086438
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