Vitas-M small molecule compound
2-{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STK592322
SMILES Cc1cccc(c1)c1nc(SCC(=O)N2CCCC2)c2c(n1)CC(OC2)(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 C22H27N3O2S MW 397.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O2S/c1-15-7-6-8-16(11-15)20-23-18-12-22(2,3)27-13-17(18)21(24-20)28-14-19(26)25-9-4-5-10-25/h6-8,11H,4-5,9-10,12-14H2,1-3H3InChIKey
IRRRJEPFSZGFIG-UHFFFAOYSA-NSynonyms
900868-90-82((77DIMETHYL2(3METHYLPHENYL)58DIHYDROPYRANO(43D)PYRIMIDIN4YL)SULFANYL)1PYRROLIDIN1YLETHANONE
2((77dimethyl2(3methylphenyl)78dihydro5Hpyrano(43d)pyrimidin4yl)sulfanyl)1(pyrrolidin1yl)ethanone
2((77dimethyl2(mtolyl)78dihydro5Hpyrano(43d)pyrimidin4yl)thio)1(pyrrolidin1yl)ethanone
900868908
CC1=CC=CC(=C1)C2=NC3=C(COC(C3)(C)C)C(=N2)SCC(=O)N4CCCC4
InChI=1SC22H27N3O2Sc11576816(1115)2023181222(23)271317(18)21(2420)281419(26)259451025h6811H459101214H213H3
MFCD06780351
ZINC000005321403
ZINC05321403
ZINC5321403
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