Vitas-M small molecule compound

2-[(2-bromoprop-2-en-1-yl)sulfanyl]-3-(3-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK936821
SMILES BrC(=C)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)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 C20H19BrN2OS2 MW 447.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2OS2/c1-12-6-5-7-14(10-12)23-19(24)17-15-8-3-4-9-16(15)26-18(17)22-20(23)25-11-13(2)21/h5-7,10H,2-4,8-9,11H2,1H3
InChIKey
BCSPLWPQMSPYGZ-UHFFFAOYSA-N
Synonyms
370576-16-2
2((2bromoallyl)thio)3(mtolyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2((2bromoprop2en1yl)sulfanyl)3(3methylphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(2bromoprop2enylsulfanyl)3(3methylphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
370576162
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=C)Br)SC4=C3CCCC4
InChI=1SC20H19BrN2OS2c11265714(1012)2319(24)1715834916(15)2618(17)2220(23)251113(2)21h5710H248911H21H3
MFCD03011244
ZINC000002316631
ZINC02316631
ZINC2316631

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Available files

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