Vitas-M small molecule compound
methyl 2-amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL369922
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C
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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 C20H21NO6 MW 371.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO6/c1-20(2)7-11(22)16-14(8-20)27-18(21)17(19(23)24-3)15(16)10-4-5-12-13(6-10)26-9-25-12/h4-6,15H,7-9,21H2,1-3H3InChIKey
JBSAUOPKEOFYPV-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC4=C(C=C3)OCO4)C(=O)C1)C
InChI=1SC20H21NO6c120(2)711(22)1614(820)2718(21)17(19(23)243)15(16)10451213(610)2692512h4615H7921H213H3
methyl2amino4(13benzodioxol5yl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO4(13BENZODIOXOL5YL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
METHYL4(2HBENZO(34D)13DIOXOLEN5YL)2AMINO77DIMETHYL5OXO4H678TRIHYDROCHROMENE3CARBOXYLATE
MFCD02150672
ZINC000001101652
ZINC000001101653
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