Vitas-M small molecule compound

3-[(4-bromophenoxy)methyl]-4-methoxy-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)benzamide

Catalog ID
STL176545
SMILES COc1ccc(cc1COc1ccc(cc1)Br)C(=O)Nn1c(C)nc2c(c1=O)c1CCCCc1s2

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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 C26H24BrN3O4S MW 554.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN3O4S/c1-15-28-25-23(20-5-3-4-6-22(20)35-25)26(32)30(15)29-24(31)16-7-12-21(33-2)17(13-16)14-34-19-10-8-18(27)9-11-19/h7-13H,3-6,14H2,1-2H3,(H,29,31)
InChIKey
PPMVFRULYMBKCG-UHFFFAOYSA-N
Synonyms
754216-38-1
3((4bromophenoxy)methyl)4methoxyN(2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)benzamide
3((4bromophenoxy)methyl)4methoxyN(2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)benzamide
754216381
CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1NC(=O)C4=CC(=C(C=C4)OC)COC5=CC=C(C=C5)Br
InChI=1SC26H24BrN3O4Sc115282523(20534622(20)3525)26(32)30(15)2924(31)1671221(332)17(1316)14341910818(27)91119h713H3614H212H3(H2931)
MFCD04049238
ZINC000002783501
ZINC2783501

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Available files

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