Vitas-M small molecule compound
2-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL334952
SMILES C/C(=C\CSc1nc2sc3c(c2c(=O)n1C)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 C15H17ClN2OS2 MW 340.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17ClN2OS2/c1-9(16)7-8-20-15-17-13-12(14(19)18(15)2)10-5-3-4-6-11(10)21-13/h7H,3-6,8H2,1-2H3/b9-7+InChIKey
IKVITQKMQWHWGW-VQHVLOKHSA-NSynonyms
496771-84-7(E)2((3chlorobut2en1yl)thio)3methyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(((2E)3chlorobut2en1yl)sulfanyl)3methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((E)3chlorobut2enyl)sulfanyl3methyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
496771847
CC(=CCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C)Cl
CC(=CCSc1nc2sc3c(c2c(=O)n1C)CCCC3)Cl
InChI=1SC15H17ClN2OS2c19(16)782015171312(14(19)18(15)2)10534611(10)2113h7H368H212H3b97+
MFCD03298440
ZINC000013596191
ZINC13596191
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