Vitas-M small molecule compound
ethyl 2-[({4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK467006
SMILES CCOC(=O)c1c(NC(=O)CN2CCN(CC2)C(=O)c2sc3c(c2Cl)ccc(c3)Cl)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 C27H29Cl2N3O4S2 MW 594.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29Cl2N3O4S2/c1-3-36-27(35)22-17-6-4-15(2)12-19(17)38-25(22)30-21(33)14-31-8-10-32(11-9-31)26(34)24-23(29)18-7-5-16(28)13-20(18)37-24/h5,7,13,15H,3-4,6,8-12,14H2,1-2H3,(H,30,33)InChIKey
JCSVKPRJMRIHPD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl
ethyl2(((4((36dichloro1benzothiophen2yl)carbonyl)piperazin1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4(36dichloro1benzothiophene2carbonyl)piperazin1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H29Cl2N3O4S2c133627(35)22176415(2)1219(17)3825(22)3021(33)143181032(11931)26(34)2423(29)187516(28)1320(18)3724h571315H34681214H212H3(H3033)
MFCD06053152
ZINC000097948693
ZINC000097948694
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