Vitas-M small molecule compound
methyl 6-tert-butyl-2-(4,6-dioxo-2-phenyl-3-{4-[(phenylcarbonyl)oxy]phenyl}hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL047731
SMILES COC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)OC(=O)c1ccccc1
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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 C38H36N2O7S MW 664.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H36N2O7S/c1-38(2,3)24-17-20-27-28(21-24)48-35(29(27)37(44)45-4)39-33(41)30-31(40(47-32(30)34(39)42)25-13-9-6-10-14-25)22-15-18-26(19-16-22)46-36(43)23-11-7-5-8-12-23/h5-16,18-19,24,30-32H,17,20-21H2,1-4H3InChIKey
IEVKQGODKUBHKW-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=C(C=C6)OC(=O)C7=CC=CC=C7
InChI=1SC38H36N2O7Sc138(23)2417202728(2124)4835(29(27)37(44)454)3933(41)3031(40(4732(30)34(39)42)251396101425)22151826(191622)4636(43)23117581223h5161819243032H172021H214H3
methyl2(3(4(benzoyloxy)phenyl)46dioxo2phenyltetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)6(tertbutyl)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl2(3(4benzoyloxyphenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2(46dioxo2phenyl3(4((phenylcarbonyl)oxy)phenyl)hexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD04081430
ZINC000229882711
ZINC000245246101
Check stock
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Check stock on Vitas-MAvailable files
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