Vitas-M small molecule compound
N-(3,5-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
STK699362
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)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/c1-4-34-21-11-9-20(10-12-21)31-27(33)25-22-7-5-6-8-23(22)36-26(25)30-28(31)35-16-24(32)29-19-14-17(2)13-18(3)15-19/h9-15H,4-8,16H2,1-3H3,(H,29,32)InChIKey
LKDOQCWTTKYQFD-UHFFFAOYSA-NSynonyms
477318-97-1477318971
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=CC(=C4)C)C)SC5=C3CCCC5
InChI=1SC28H29N3O3S2c14342111920(101221)3127(33)2522756823(22)3626(25)3028(31)351624(32)29191417(2)1318(3)1519h915H4816H213H3(H2932)
MFCD03474428
N(35dimethylphenyl)2((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(35dimethylphenyl)2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(35dimethylphenyl)2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
ZINC000002259255
ZINC02259255
ZINC2259255
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