Vitas-M small molecule compound

2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide

Catalog ID
STK031127
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)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 C28H29N3O3S2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S2/c1-17(2)20-8-4-6-10-22(20)29-24(32)16-35-28-30-26-25(21-9-5-7-11-23(21)36-26)27(33)31(28)18-12-14-19(34-3)15-13-18/h4,6,8,10,12-15,17H,5,7,9,11,16H2,1-3H3,(H,29,32)
InChIKey
VBZWNCSQUFQBJZ-UHFFFAOYSA-N
Synonyms
476485-64-0
2((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(2(propan2yl)phenyl)acetamide
2((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(2propan2ylphenyl)acetamide
476485640
CC(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC
COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC28H29N3O3S2c117(2)208461022(20)2924(32)163528302625(219571123(21)3626)27(33)31(28)18121419(343)151318h46810121517H5791116H213H3(H2932)
MFCD03473826
N(2isopropylphenyl)2((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
STK031127
ZINC000002259640
ZINC02259640
ZINC2259640

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.