Vitas-M small molecule compound
N-1,3-benzothiazol-2-yl-N~3~-{[4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]acetyl}-beta-alaninamide
Catalog ID
STL559809
SMILES O=C(Nc1nc2c(s1)cccc2)CCNC(=O)CC1(CCSCC1)c1oc(C)cc(=O)c1O
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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 C23H25N3O5S2 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O5S2/c1-14-12-16(27)20(30)21(31-14)23(7-10-32-11-8-23)13-19(29)24-9-6-18(28)26-22-25-15-4-2-3-5-17(15)33-22/h2-5,12,30H,6-11,13H2,1H3,(H,24,29)(H,25,26,28)InChIKey
KIBHYFSUNAPWNQ-UHFFFAOYSA-NSynonyms
139029997
InChI=1SC23H25N3O5S2c1141216(27)20(30)21(3114)23(7103211823)1319(29)249618(28)26222515423517(15)3322h251230H61113H21H3(H2429)(H252628)
MFCD32221638
N(13benzothiazol2yl)3((2(4(3hydroxy6methyl4oxopyran2yl)thian4yl)acetyl)amino)propanamide
N(benzo(d)thiazol2yl)3(2(4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)acetamido)propanamide
N13benzothiazol2ylN~3~((4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)acetyl)betaalaninamide
N13BENZOTHIAZOL2YLN3((4(3HYDROXY6METHYL4OXO4HPYRAN2YL)TETRAHYDRO2HTHIOPYRAN4YL)ACETYL)BETAALANINAMIDE
ZINC001776111664
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