Vitas-M small molecule compound
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK532144
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)c1CCC(Cc1s2)C
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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 C26H23BrN2O3S2 MW 555.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O3S2/c1-15-3-12-20-22(13-15)34-24-23(20)25(31)29(18-8-10-19(32-2)11-9-18)26(28-24)33-14-21(30)16-4-6-17(27)7-5-16/h4-11,15H,3,12-14H2,1-2H3InChIKey
XVJDWIHTXXLYEM-UHFFFAOYSA-NSynonyms
2((2(4bromophenyl)2oxoethyl)sulfanyl)3(4methoxyphenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((2(4bromophenyl)2oxoethyl)thio)3(4methoxyphenyl)7methyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(2(4bromophenyl)2oxoethyl)sulfanyl3(4methoxyphenyl)7methyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)OC
InChI=1SC26H23BrN2O3S2c1153122022(1315)342423(20)25(31)29(1881019(322)11918)26(2824)331421(30)164617(27)7516h41115H31214H212H3
MFCD02993066
ZINC000001830082
ZINC000001830083
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