Vitas-M small molecule compound
2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Catalog ID
STK068771
SMILES O=C(Nc1ccc(cc1)N(C)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CCCC3
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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 C26H25BrN4O2S2 MW 569.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN4O2S2/c1-30(2)18-13-9-17(10-14-18)28-22(32)15-34-26-29-24-23(20-5-3-4-6-21(20)35-24)25(33)31(26)19-11-7-16(27)8-12-19/h7-14H,3-6,15H2,1-2H3,(H,28,32)InChIKey
FTLWOBBUCVTEFI-UHFFFAOYSA-NSynonyms
2((3(4bromophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4(dimethylamino)phenyl)acetamide
2((3(4bromophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4(dimethylamino)phenyl)acetamide
2((3(4bromophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4(dimethylamino)phenyl)acetamide
CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br
InChI=1SC26H25BrN4O2S2c130(2)1813917(101418)2822(32)153426292423(20534621(20)3524)25(33)31(26)1911716(27)81219h714H3615H212H3(H2832)
MFCD03223134
O=C(Nc1ccc(cc1)N(C)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CCCC3
STK068771
ZINC000001739880
ZINC01739880
ZINC1739880
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