Vitas-M small molecule compound
2-(4-{[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}butyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK721065
SMILES CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)c1cccc(c1)C)SCCCCN1C(=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 C31H31N3O4S2 MW 573.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O4S2/c1-18(2)24-16-23-25(17-38-24)40-27-26(23)30(37)34(20-10-8-9-19(3)15-20)31(32-27)39-14-7-6-13-33-28(35)21-11-4-5-12-22(21)29(33)36/h4-5,8-12,15,18,24H,6-7,13-14,16-17H2,1-3H3InChIKey
GHUJZVZRGJUXHM-UHFFFAOYSA-NSynonyms
2(4((3(3methylphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)butyl)1Hisoindole13(2H)dione
2(4((3(3methylphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)butyl)isoindole13dione
2(4((6isopropyl4oxo3(mtolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)butyl)isoindoline13dione
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCCCCN4C(=O)C5=CC=CC=C5C4=O)SC6=C3CC(OC6)C(C)C
InChI=1SC31H31N3O4S2c118(2)24162325(173824)402726(23)30(37)34(20108919(3)1520)31(3227)391476133328(35)2111451222(21)29(33)36h45812151824H6713141617H213H3
MFCD03011106
ZINC000001813922
ZINC000001813923
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