Vitas-M small molecule compound

2-{[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

Catalog ID
STK553167
SMILES O=C(CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C)NCCc1ccccc1

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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 C29H31N3O3S2 MW 533.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S2/c1-18(2)23-15-22-24(16-35-23)37-27-26(22)28(34)32(21-11-7-8-19(3)14-21)29(31-27)36-17-25(33)30-13-12-20-9-5-4-6-10-20/h4-11,14,18,23H,12-13,15-17H2,1-3H3,(H,30,33)
InChIKey
FETWWBLLLWWYTP-UHFFFAOYSA-N
Synonyms
836635-75-7
2((3(3methylphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)N(2phenylethyl)acetamide
2((3(3methylphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)N(2phenylethyl)acetamide
2((6isopropyl4oxo3(mtolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)Nphenethylacetamide
836635757
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)NCCC4=CC=CC=C4)SC5=C3CC(OC5)C(C)C
InChI=1SC29H31N3O3S2c118(2)23152224(163523)372726(22)28(34)32(21117819(3)1421)29(3127)361725(33)3013122095461020h411141823H12131517H213H3(H3033)
MFCD03689732
ZINC000097952384
ZINC000097952385

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Available files

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