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-(3-fluoro-4-methylphenyl)acetamide

Catalog ID
STL049681
SMILES O=C(Nc1ccc(c(c1)F)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 C25H21BrFN3O2S2 MW 558.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrFN3O2S2/c1-14-6-9-16(12-19(14)27)28-21(31)13-33-25-29-23-22(18-4-2-3-5-20(18)34-23)24(32)30(25)17-10-7-15(26)8-11-17/h6-12H,2-5,13H2,1H3,(H,28,31)
InChIKey
PMWANEJKUHHIQL-UHFFFAOYSA-N
Synonyms

2((3(4bromophenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(3fluoro4methylphenyl)acetamide
2((3(4bromophenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(3fluoro4methylphenyl)acetamide
2((3(4bromophenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(3fluoro4methylphenyl)acetamide
CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br)F
InChI=1SC25H21BrFN3O2S2c1146916(1219(14)27)2821(31)133325292322(18423520(18)3423)24(32)30(25)1710715(26)81117h612H2513H21H3(H2831)
MFCD03223119
ZINC000001874753
ZINC01874753
ZINC1874753

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Available files

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