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,N-diphenylacetamide
Catalog ID
STK544844
SMILES CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCC(=O)N(c1ccccc1)c1ccccc1)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 C33H31N3O3S2 MW 581.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O3S2/c1-21(2)27-18-26-28(19-39-27)41-31-30(26)32(38)36(25-16-10-11-22(3)17-25)33(34-31)40-20-29(37)35(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-17,21,27H,18-20H2,1-3H3InChIKey
JPOXOLXFVUJNIX-UHFFFAOYSA-NSynonyms
2((3(3methylphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)NNdiphenylacetamide
2((3(3methylphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)NNdiphenylacetamide
2((6isopropyl4oxo3(mtolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)NNdiphenylacetamide
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)SC6=C3CC(OC6)C(C)C
InChI=1SC33H31N3O3S2c121(2)27182628(193927)413130(26)32(38)36(2516101122(3)1725)33(3431)402029(37)35(23126471323)24148591524h4172127H1820H213H3
MFCD03289630
ZINC000001757889
ZINC000001757891
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