Vitas-M small molecule compound
methyl 2-[({4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK466975
SMILES COC(=O)c1c(NC(=O)CN2CCN(CC2)C(=O)c2sc3c(c2Cl)ccc(c3)Cl)sc(c1C)C(=O)N(C)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 C25H26Cl2N4O5S2 MW 597.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26Cl2N4O5S2/c1-13-18(25(35)36-4)22(38-20(13)23(33)29(2)3)28-17(32)12-30-7-9-31(10-8-30)24(34)21-19(27)15-6-5-14(26)11-16(15)37-21/h5-6,11H,7-10,12H2,1-4H3,(H,28,32)InChIKey
BIFJZSXZSFAHKY-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)C(=O)N(C)C
InChI=1SC25H26Cl2N4O5S2c11318(25(35)364)22(3820(13)23(33)29(2)3)2817(32)12307931(10830)24(34)2119(27)156514(26)1116(15)3721h5611H71012H214H3(H2832)
methyl2(((4((36dichloro1benzothiophen2yl)carbonyl)piperazin1yl)acetyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
methyl2((2(4(36dichloro1benzothiophene2carbonyl)piperazin1yl)acetyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(2(4((36DICHLOROBENZO(B)THIOPHEN2YL)CARBONYL)PIPERAZINYL)ACETYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD06053112
ZINC000097948711
ZINC97948711
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