Vitas-M small molecule compound
N-(2-methylphenyl)-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
STK935696
SMILES O=C(Nc1ccccc1C)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 C29H31N3O3S2 MW 533.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S2/c1-18(2)23-15-21-24(16-35-23)37-27-26(21)28(34)32(14-13-20-10-5-4-6-11-20)29(31-27)36-17-25(33)30-22-12-8-7-9-19(22)3/h4-12,18,23H,13-17H2,1-3H3,(H,30,33)InChIKey
RLMIHXKNVZNKGO-UHFFFAOYSA-NSynonyms
488089-55-02((6isopropyl4oxo3phenethyl4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)N(otolyl)acetamide
488089550
CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)COC(C4)C(C)C)C(=O)N2CCC5=CC=CC=C5
InChI=1SC29H31N3O3S2c118(2)23152124(163523)372726(21)28(34)32(141320105461120)29(3127)361725(33)30221287919(22)3h4121823H1317H213H3(H3033)
MFCD03287913
N(2methylphenyl)2((4oxo3(2phenylethyl)6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(2methylphenyl)2((4oxo3(2phenylethyl)6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetamide
ZINC000001791407
ZINC000001791409
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