Vitas-M small molecule compound

2-(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}ethyl)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK552399
SMILES CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCCN1C(=O)c2c(C1=O)cccc2)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 C29H27N3O4S2 MW 545.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4S2/c1-16(2)22-14-21-23(15-36-22)38-25-24(21)28(35)32(18-8-6-7-17(3)13-18)29(30-25)37-12-11-31-26(33)19-9-4-5-10-20(19)27(31)34/h4-10,13,16,22H,11-12,14-15H2,1-3H3
InChIKey
QCJDMUTUCPBLMU-UHFFFAOYSA-N
Synonyms
835907-62-5
2(2((3(3methylphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)ethyl)1Hisoindole13(2H)dione
2(2((3(3methylphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)ethyl)isoindole13dione
2(2((6isopropyl4oxo3(mtolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)ethyl)isoindoline13dione
835907625
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCCN4C(=O)C5=CC=CC=C5C4=O)SC6=C3CC(OC6)C(C)C
InChI=1SC29H27N3O4S2c116(2)22142123(153622)382524(21)28(35)32(1886717(3)1318)29(3025)3712113126(33)199451020(19)27(31)34h410131622H11121415H213H3
MFCD03686655
ZINC000002248191
ZINC000002248192

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Available files

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