Vitas-M small molecule compound
3-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK757710
SMILES COc1ccc(cc1/C=N/n1cnc2c(c1=O)c1CCCCc1s2)Br
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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 C18H16BrN3O2S MW 418.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrN3O2S/c1-24-14-7-6-12(19)8-11(14)9-21-22-10-20-17-16(18(22)23)13-4-2-3-5-15(13)25-17/h6-10H,2-5H2,1H3/b21-9+InChIKey
UVUWMDBGAQALCX-ZVBGSRNCSA-NSynonyms
3(((E)(5bromo2methoxyphenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(5bromo2methoxyphenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
COC1=C(C=C(C=C1)Br)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4
COc1ccc(cc1C=Nn1cnc2c(c1=O)c1CCCCc1s2)Br
InChI=1SC18H16BrN3O2Sc124147612(19)811(14)9212210201716(18(22)23)13423515(13)2517h610H25H21H3b219+
MFCD01304855
ZINC000008826771
ZINC35377134
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