Vitas-M small molecule compound
methyl 2-[({4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK466999
SMILES COC(=O)c1c(NC(=O)CN2CCN(CC2)C(=O)c2sc3c(c2Cl)ccc(c3)Cl)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 C25H25Cl2N3O4S2 MW 566.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25Cl2N3O4S2/c1-34-25(33)20-15-4-2-3-5-17(15)36-23(20)28-19(31)13-29-8-10-30(11-9-29)24(32)22-21(27)16-7-6-14(26)12-18(16)35-22/h6-7,12H,2-5,8-11,13H2,1H3,(H,28,31)InChIKey
LYQHXEQWRUUOEY-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl
InChI=1SC25H25Cl2N3O4S2c13425(33)2015423517(15)3623(20)2819(31)132981030(11929)24(32)2221(27)167614(26)1218(16)3522h6712H2581113H21H3(H2831)
methyl2(((4((36dichloro1benzothiophen2yl)carbonyl)piperazin1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(4(36dichloro1benzothiophene2carbonyl)piperazin1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06053116
ZINC000097948380
ZINC97948380
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