Vitas-M small molecule compound
2-[4-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)tetrahydro-2H-thiopyran-4-yl]-N-{2-phenyl-1-[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]ethyl}acetamide
Catalog ID
STL559213
SMILES O=C(CC1(CCSCC1)c1oc(C)cc(=O)c1O)NC(c1nnc([nH]1)C(C)C)Cc1ccccc1
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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 C26H32N4O4S MW 496.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O4S/c1-16(2)24-28-25(30-29-24)19(14-18-7-5-4-6-8-18)27-21(32)15-26(9-11-35-12-10-26)23-22(33)20(31)13-17(3)34-23/h4-8,13,16,19,33H,9-12,14-15H2,1-3H3,(H,27,32)(H,28,29,30)InChIKey
MWEPXVGBWYEROH-UHFFFAOYSA-NSynonyms
139029656
2(4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)N(1(3isopropyl1H124triazol5yl)2phenylethyl)acetamide
2(4(3hydroxy6methyl4oxo4Hpyran2yl)tetrahydro2Hthiopyran4yl)N(2phenyl1(5(propan2yl)4H124triazol3yl)ethyl)acetamide
2(4(3hydroxy6methyl4oxopyran2yl)thian4yl)N(2phenyl1(3propan2yl1H124triazol5yl)ethyl)acetamide
InChI=1SC26H32N4O4Sc116(2)242825(302924)19(14187546818)2721(32)1526(91135121026)2322(33)20(31)1317(3)3423h4813161933H9121415H213H3(H2732)(H282930)
MFCD32221077
O=C(CC1(CCSCC1)c1oc(C)cc(=O)c1O)NC(c1(nH)nc(n1)C(C)C)Cc1ccccc1
ZINC001776111301
ZINC001776111302
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