Vitas-M small molecule compound
N-(3-methoxyphenyl)-2-{[4-oxo-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL241198
SMILES COc1cccc(c1)NC(=O)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(OC3)C(C)C
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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 C29H31N3O4S2 MW 549.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4S2/c1-18(2)23-15-22-24(16-36-23)38-27-26(22)28(34)32(13-12-19-8-5-4-6-9-19)29(31-27)37-17-25(33)30-20-10-7-11-21(14-20)35-3/h4-11,14,18,23H,12-13,15-17H2,1-3H3,(H,30,33)InChIKey
IGHAHFLCEREYNT-UHFFFAOYSA-NSynonyms
488745-05-72((6isopropyl4oxo3phenethyl4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)N(3methoxyphenyl)acetamide
488745057
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC(=CC=C4)OC)CCC5=CC=CC=C5
InChI=1SC29H31N3O4S2c118(2)23152224(163623)382726(22)28(34)32(1312198546919)29(3127)371725(33)30201071121(1420)353h411141823H12131517H213H3(H3033)
MFCD03292256
N(3methoxyphenyl)2((4oxo3(2phenylethyl)6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(3methoxyphenyl)2((4oxo3(2phenylethyl)6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetamide
ZINC000001307066
ZINC000001307067
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