Vitas-M small molecule compound
methyl 2-[({4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK467637
SMILES COC(=O)c1c(NC(=O)CN2CCN(CC2)C(=O)c2sc3c(c2Cl)ccc(c3)Cl)sc2c1CCCCCC2
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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 C27H29Cl2N3O4S2 MW 594.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29Cl2N3O4S2/c1-36-27(35)22-17-6-4-2-3-5-7-19(17)38-25(22)30-21(33)15-31-10-12-32(13-11-31)26(34)24-23(29)18-9-8-16(28)14-20(18)37-24/h8-9,14H,2-7,10-13,15H2,1H3,(H,30,33)InChIKey
IWNMWBMMBPPFSU-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl
InChI=1SC27H29Cl2N3O4S2c13627(35)221764235719(17)3825(22)3021(33)1531101232(131131)26(34)2423(29)189816(28)1420(18)3724h8914H27101315H21H3(H3033)
methyl2(((4((36dichloro1benzothiophen2yl)carbonyl)piperazin1yl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((2(4(36dichloro1benzothiophene2carbonyl)piperazin1yl)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD06053110
ZINC000097948692
ZINC97948692
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