Vitas-M small molecule compound
N,N-dibutyl-2-{[6,6-dimethyl-4-oxo-3-(2-phenylethyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK542585
SMILES CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)(C)C)CCCC
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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 C29H39N3O3S2 MW 541.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O3S2/c1-5-7-15-31(16-8-6-2)24(33)20-36-28-30-26-25(22-18-29(3,4)35-19-23(22)37-26)27(34)32(28)17-14-21-12-10-9-11-13-21/h9-13H,5-8,14-20H2,1-4H3InChIKey
PELABTABFUSXQL-UHFFFAOYSA-NSynonyms
500280-02-4500280024
CCCCN(CCCC)C(=O)CSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1CCC4=CC=CC=C4
InChI=1SC29H39N3O3S2c1571531(16862)24(33)203628302625(221829(34)351923(22)3726)27(34)32(28)17142112109111321h913H581420H214H3
MFCD03303492
NNdibutyl2((66dimethyl4oxo3(2phenylethyl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
NNdibutyl2((66dimethyl4oxo3(2phenylethyl)58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetamide
NNdibutyl2((66dimethyl4oxo3phenethyl4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetamide
ZINC000097951726
ZINC97951726
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