Vitas-M small molecule compound
ethyl 2-[({[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl}acetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK310617
SMILES CCOC(=O)c1c(NC(=O)CSc2nccc(n2)c2ccc(cc2)Br)sc2c1CCC(C2)CC
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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 C25H26BrN3O3S2 MW 560.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN3O3S2/c1-3-15-5-10-18-20(13-15)34-23(22(18)24(31)32-4-2)29-21(30)14-33-25-27-12-11-19(28-25)16-6-8-17(26)9-7-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,29,30)InChIKey
CEKKDUVBTPRCBR-UHFFFAOYSA-NSynonyms
832129-23-4832129234
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NC=CC(=N3)C4=CC=C(C=C4)Br
ethyl2((((4(4bromophenyl)pyrimidin2yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4(4bromophenyl)pyrimidin2yl)sulfanylacetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H26BrN3O3S2c13155101820(1315)3423(22(18)24(31)3242)2921(30)14332527121119(2825)166817(26)9716h69111215H35101314H212H3(H2930)
MFCD04054268
ZINC000002805418
ZINC000002805419
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