Vitas-M small molecule compound
benzyl 2-amino-4-[4-(methoxycarbonyl)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL327232
SMILES COC(=O)c1ccc(cc1)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
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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 C27H27NO6 MW 461.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6/c1-27(2)13-19(29)22-20(14-27)34-24(28)23(26(31)33-15-16-7-5-4-6-8-16)21(22)17-9-11-18(12-10-17)25(30)32-3/h4-12,21H,13-15,28H2,1-3H3InChIKey
STOSDBOZZICEBA-UHFFFAOYSA-NSynonyms
306294-10-0306294100
benzyl2amino4(4(methoxycarbonyl)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
BENZYL2AMINO4(4METHOXYCARBONYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
CC1(CC2=C(C(C(=C(O2)N)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC)C(=O)C1)C
InChI=1SC27H27NO6c127(2)1319(29)2220(1427)3424(28)23(26(31)3315167546816)21(22)1791118(121017)25(30)323h41221H131528H213H3
MFCD01880756
ZINC000002276040
ZINC000002276041
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