Vitas-M small molecule compound
methyl 2-amino-7,7-dimethyl-4-[4-(morpholin-4-ylmethyl)thiophen-2-yl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STK779869
SMILES COC(=O)C1=C(N)OC2=C(C1c1scc(c1)CN1CCOCC1)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 C22H28N2O5S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O5S/c1-22(2)9-14(25)17-15(10-22)29-20(23)19(21(26)27-3)18(17)16-8-13(12-30-16)11-24-4-6-28-7-5-24/h8,12,18H,4-7,9-11,23H2,1-3H3InChIKey
RUFBEVKPVZABRT-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=CS3)CN4CCOCC4)C(=O)C1)C
InChI=1SC22H28N2O5Sc122(2)914(25)1715(1022)2920(23)19(21(26)273)18(17)16813(123016)112446287524h81218H4791123H213H3
methyl2amino77dimethyl4(4(morpholin4ylmethyl)thiophen2yl)5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO77DIMETHYL4(4(MORPHOLIN4YLMETHYL)THIOPHEN2YL)5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
MFCD05859405
ZINC000012402364
ZINC000019873852
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