Vitas-M small molecule compound
2-[(8,8-dimethyl-2-oxo-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]-N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide
Catalog ID
STL534316
SMILES CSCC[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2c1c(cc(=O)o2)c1ccccc1)CO
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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 C27H31NO6S MW 497.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6S/c1-27(2)11-9-19-21(34-27)14-22(32-16-23(30)28-18(15-29)10-12-35-3)25-20(13-24(31)33-26(19)25)17-7-5-4-6-8-17/h4-8,13-14,18,29H,9-12,15-16H2,1-3H3,(H,28,30)/t18-/m0/s1InChIKey
JCISCULGQAOBHK-SFHVURJKSA-NSynonyms
956948-76-8(S)2((88dimethyl2oxo4phenyl28910tetrahydropyrano(23f)chromen5yl)oxy)N(1hydroxy4(methylthio)butan2yl)acetamide
16407950
2((88dimethyl2oxo4phenyl910dihydro2H8Hpyrano(23f)chromen5yl)oxy)N((2S)1hydroxy4(methylsulfanyl)butan2yl)acetamide
2((88dimethyl2oxo4phenyl910dihydropyrano(23h)chromen5yl)oxy)~(N)((2~(S))1hydroxy4methylsulfanylbutan2yl)acetamide
956948768
CSCC(C@H)(NC(=O)COc1cc2OC(C)(C)CCc2c2c1c(cc(=O)o2)c1ccccc1)CO
InChI=1SC27H31NO6Sc127(2)1191921(3427)1422(321623(30)2818(1529)1012353)2520(1324(31)3326(19)25)177546817h4813141829H9121516H213H3(H2830)t18m0s1
ZINC000012892753
ZINC12892753
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