Vitas-M small molecule compound

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

Catalog ID
STK940370
SMILES C/C(=C\CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCCC3)/Cl

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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 C21H21ClN2OS2 MW 417.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2OS2/c1-13-6-5-7-15(12-13)24-20(25)18-16-8-3-4-9-17(16)27-19(18)23-21(24)26-11-10-14(2)22/h5-7,10,12H,3-4,8-9,11H2,1-2H3/b14-10+
InChIKey
AQDZOEUIMFRDAO-GXDHUFHOSA-N
Synonyms
370572-26-2
(E)2((3chlorobut2en1yl)thio)3(mtolyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(((2E)3chlorobut2en1yl)sulfanyl)3(3methylphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((E)3chlorobut2enyl)sulfanyl3(3methylphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
370572262
CC(=CCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCCC3)Cl
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC=C(C)Cl)SC4=C3CCCC4
InChI=1SC21H21ClN2OS2c11365715(1213)2420(25)1816834917(16)2719(18)2321(24)26111014(2)22h571012H348911H212H3b1410+
MFCD03010957
ZINC000002316343
ZINC02316343
ZINC2316343

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Available files

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