Vitas-M small molecule compound
N-(2,6-dimethylphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK023703
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2C)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/c1-4-34-20-14-12-19(13-15-20)31-27(33)24-21-10-5-6-11-22(21)36-26(24)30-28(31)35-16-23(32)29-25-17(2)8-7-9-18(25)3/h7-9,12-15H,4-6,10-11,16H2,1-3H3,(H,29,32)InChIKey
JSXCHVYUZXZCBT-UHFFFAOYSA-NSynonyms
499125-49-4499125494
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=CC=C4C)C)SC5=C3CCCC5
CCOc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC28H29N3O3S2c143420141219(131520)3127(33)242110561122(21)3626(24)3028(31)351623(32)292517(2)87918(25)3h791215H46101116H213H3(H2932)
MFCD03224570
N(26dimethylphenyl)2((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(26dimethylphenyl)2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(26dimethylphenyl)2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
STK023703
ZINC000001812279
ZINC01812279
ZINC1812279
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.