Vitas-M small molecule compound
N-(3,4-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
STK025455
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)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/c1-4-34-21-13-11-20(12-14-21)31-27(33)25-22-7-5-6-8-23(22)36-26(25)30-28(31)35-16-24(32)29-19-10-9-17(2)18(3)15-19/h9-15H,4-8,16H2,1-3H3,(H,29,32)InChIKey
RKLIFCBTBVNKJJ-UHFFFAOYSA-NSynonyms
499125-52-9499125529
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=C(C=C4)C)C)SC5=C3CCCC5
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C)C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC28H29N3O3S2c143421131120(121421)3127(33)2522756823(22)3626(25)3028(31)351624(32)291910917(2)18(3)1519h915H4816H213H3(H2932)
MFCD03224576
N(34dimethylphenyl)2((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(34dimethylphenyl)2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(34dimethylphenyl)2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
STK025455
ZINC000001822519
ZINC01822519
ZINC1822519
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