Vitas-M small molecule compound
methyl 2-[({4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK467512
SMILES COC(=O)c1c(NC(=O)CN2CCN(CC2)C(=O)c2sc3c(c2Cl)ccc(c3)Cl)sc2c1CCCCC2
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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 C26H27Cl2N3O4S2 MW 580.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27Cl2N3O4S2/c1-35-26(34)21-16-5-3-2-4-6-18(16)37-24(21)29-20(32)14-30-9-11-31(12-10-30)25(33)23-22(28)17-8-7-15(27)13-19(17)36-23/h7-8,13H,2-6,9-12,14H2,1H3,(H,29,32)InChIKey
XRODSAKQXMTHGE-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl
InChI=1SC26H27Cl2N3O4S2c13526(34)21165324618(16)3724(21)2920(32)143091131(121030)25(33)2322(28)178715(27)1319(17)3623h7813H2691214H21H3(H2932)
methyl2(((4((36dichloro1benzothiophen2yl)carbonyl)piperazin1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2(4(36dichloro1benzothiophene2carbonyl)piperazin1yl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD06053118
ZINC000097948548
ZINC97948548
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