Vitas-M small molecule compound
N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]-2-[(4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetamide
Catalog ID
STK622147
SMILES CSCC[C@H](NC(=O)COc1ccc2c(c1)OC1(CC2=O)CCCCC1)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 C21H29NO5S MW 407.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO5S/c1-28-10-7-15(13-23)22-20(25)14-26-16-5-6-17-18(24)12-21(27-19(17)11-16)8-3-2-4-9-21/h5-6,11,15,23H,2-4,7-10,12-14H2,1H3,(H,22,25)/t15-/m0/s1InChIKey
ZUVTUPAVSORFCQ-HNNXBMFYSA-NSynonyms
1014412-25-9(S)N(1hydroxy4(methylthio)butan2yl)2((4oxospiro(chroman21cyclohexan)7yl)oxy)acetamide
1014412259
CSCC(C@H)(NC(=O)COc1ccc2c(c1)OC1(CC2=O)CCCCC1)CO
CSCCC(CO)NC(=O)COC1=CC2=C(C=C1)C(=O)CC3(O2)CCCCC3
InChI=1SC21H29NO5Sc12810715(1323)2220(25)142616561718(24)1221(2719(17)1116)8324921h56111523H247101214H21H3(H2225)t15m0s1
MFCD09853791
N((2S)1hydroxy4(methylsulfanyl)butan2yl)2((4oxo34dihydrospiro(chromene21cyclohexan)7yl)oxy)acetamide
N((2S)1hydroxy4methylsulfanylbutan2yl)2(4oxospiro(3Hchromene21cyclohexane)7yl)oxyacetamide
ZINC000013692928
ZINC13692928
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