Vitas-M small molecule compound
methyl 3-{[7-(4-bromophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}-4-methoxybenzoate
Catalog ID
STL105499
SMILES COc1ccc(cc1Cn1cnc2c(c1=O)scc2c1ccc(cc1)Br)C(=O)OC
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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 C22H17BrN2O4S MW 485.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN2O4S/c1-28-18-8-5-14(22(27)29-2)9-15(18)10-25-12-24-19-17(11-30-20(19)21(25)26)13-3-6-16(23)7-4-13/h3-9,11-12H,10H2,1-2H3InChIKey
VRPFWXMNODXLJA-UHFFFAOYSA-NSynonyms
1207025-29-31207025293
COC1=C(C=C(C=C1)C(=O)OC)CN2C=NC3=C(C2=O)SC=C3C4=CC=C(C=C4)Br
InChI=1SC22H17BrN2O4Sc128188514(22(27)292)915(18)102512241917(113020(19)21(25)26)133616(23)7413h391112H10H212H3
methyl3((7(4bromophenyl)4oxothieno(32d)pyrimidin3(4H)yl)methyl)4methoxybenzoate
methyl3((7(4bromophenyl)4oxothieno(32d)pyrimidin3yl)methyl)4methoxybenzoate
MFCD16639002
ZINC000038653547
ZINC38653547
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