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-(2-chloro-4,6-dimethylphenyl)acetamide

Catalog ID
STK079670
SMILES Brc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2Cl)C)nc2c(c1=O)c1CCCCc1s2

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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 C26H23BrClN3O2S2 MW 588.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrClN3O2S2/c1-14-11-15(2)23(19(28)12-14)29-21(32)13-34-26-30-24-22(18-5-3-4-6-20(18)35-24)25(33)31(26)17-9-7-16(27)8-10-17/h7-12H,3-6,13H2,1-2H3,(H,29,32)
InChIKey
LQDBYIYJHALMDY-UHFFFAOYSA-N
Synonyms
476484-28-3
2((3(4bromophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(2chloro46dimethylphenyl)acetamide
2((3(4bromophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(2chloro46dimethylphenyl)acetamide
2((3(4bromophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(2chloro46dimethylphenyl)acetamide
476484283
Brc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2Cl)C)nc2c(c1=O)c1CCCCc1s2
CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br)C
InChI=1SC26H23BrClN3O2S2c1141115(2)23(19(28)1214)2921(32)133426302422(18534620(18)3524)25(33)31(26)179716(27)81017h712H3613H212H3(H2932)
MFCD03473586
STK079670
ZINC000001869092
ZINC01869092
ZINC1869092

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.