Vitas-M small molecule compound
(E)-N~3~-{[1-benzyl-4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)piperidin-4-yl]acetyl}-N-(4-methyl-1,3-thiazol-2(3H)-ylidene)-beta-alaninamide
Catalog ID
STL559930
SMILES O=C(CC1(CCN(CC1)Cc1ccccc1)c1oc(C)cc(=O)c1O)NCCC(=O)/N=c\1/scc([nH]1)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 C27H32N4O5S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O5S/c1-18-17-37-26(29-18)30-22(33)8-11-28-23(34)15-27(25-24(35)21(32)14-19(2)36-25)9-12-31(13-10-27)16-20-6-4-3-5-7-20/h3-7,14,17,35H,8-13,15-16H2,1-2H3,(H,28,34)(H,29,30,33)InChIKey
RMORBWMEDNLYOB-UHFFFAOYSA-NSynonyms
(E)N~3~((1benzyl4(3hydroxy6methyl4oxo4Hpyran2yl)piperidin4yl)acetyl)N(4methyl13thiazol2(3H)ylidene)betaalaninamide
(E)N3((1BENZYL4(3HYDROXY6METHYL4OXO4HPYRAN2YL)PIPERIDIN4YL)ACETYL)N(4METHYL13THIAZOL2(3H)YLIDENE)BETAALANINAMIDE
139030071
3((2(1benzyl4(3hydroxy6methyl4oxopyran2yl)piperidin4yl)acetyl)amino)N(4methyl13thiazol2yl)propanamide
InChI=1SC27H32N4O5Sc118173726(2918)3022(33)8112823(34)1527(2524(35)21(32)1419(2)3625)91231(131027)16206435720h37141735H8131516H212H3(H2834)(H293033)
MFCD32221746
ZINC001776111818
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