Vitas-M small molecule compound
3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]propanamide
Catalog ID
STL550655
SMILES CSCC[C@@H](c1nc2c(n1C)cccc2)NC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1)OC)O
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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 C28H31N3O6S MW 537.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O6S/c1-16-13-23(33)26(35)27(37-16)18(17-9-10-22(32)24(14-17)36-3)15-25(34)29-20(11-12-38-4)28-30-19-7-5-6-8-21(19)31(28)2/h5-10,13-14,18,20,32,35H,11-12,15H2,1-4H3,(H,29,34)/t18?,20-/m0/s1InChIKey
BJGRBCVCUMTRRL-IJHRGXPZSA-NSynonyms
127253121
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N((1S)1(1methyl1Hbenzimidazol2yl)3(methylsulfanyl)propyl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxo4Hpyran2yl)N((S)1(1methyl1Hbenzo(d)imidazol2yl)3(methylthio)propyl)propanamide
3(4hydroxy3methoxyphenyl)3(3hydroxy6methyl4oxopyran2yl)~(N)((1~(S))1(1methylbenzimidazol2yl)3methylsulfanylpropyl)propanamide
CSCC(C@@H)(c1nc2c(n1C)cccc2)NC(=O)CC(c1oc(C)cc(=O)c1O)c1ccc(c(c1)OC)O
InChI=1SC28H31N3O6Sc1161323(33)26(35)27(3716)18(1791022(32)24(1417)363)1525(34)2920(1112384)283019756821(19)31(28)2h510131418203235H111215H214H3(H2934)t18?20m0s1
ZINC000604404289
ZINC000604404290
Check stock
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Check stock on Vitas-MAvailable files
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