Vitas-M small molecule compound

7-benzyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK698981
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)c1CCN(Cc1s2)Cc1ccccc1

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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 C31H26BrN3O3S2 MW 632.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26BrN3O3S2/c1-38-24-13-11-23(12-14-24)35-30(37)28-25-15-16-34(17-20-5-3-2-4-6-20)18-27(25)40-29(28)33-31(35)39-19-26(36)21-7-9-22(32)10-8-21/h2-14H,15-19H2,1H3
InChIKey
CTLJKQTZSAJPPC-UHFFFAOYSA-N
Synonyms

7benzyl2((2(4bromophenyl)2oxoethyl)sulfanyl)3(4methoxyphenyl)5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
7benzyl2((2(4bromophenyl)2oxoethyl)thio)3(4methoxyphenyl)5678tetrahydropyrido(4345)thieno(23d)pyrimidin4(3H)one
7benzyl2(2(4bromophenyl)2oxoethyl)sulfanyl3(4methoxyphenyl)68dihydro5Hpyrido(23)thieno(24b)pyrimidin4one
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)Br)SC5=C3CCN(C5)CC6=CC=CC=C6
InChI=1SC31H26BrN3O3S2c13824131123(121424)3530(37)2825151634(17205324620)1827(25)4029(28)3331(35)391926(36)217922(32)10821h214H1519H21H3
MFCD01877793
ZINC000150416382
ZINC150416382

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Available files

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