Vitas-M small molecule compound
methyl 2-amino-4-{3-methoxy-4-[(4-methoxyphenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL173574
SMILES COc1ccc(cc1)OCc1ccc(cc1OC)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C(=O)OC
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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 C28H31NO7 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO7/c1-28(2)13-20(30)24-22(14-28)36-26(29)25(27(31)34-5)23(24)16-6-7-17(21(12-16)33-4)15-35-19-10-8-18(32-3)9-11-19/h6-12,23H,13-15,29H2,1-5H3InChIKey
HOXLLYVEHRRDRF-UHFFFAOYSA-NSynonyms
515848-89-2515848892
CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=C(C=C3)COC4=CC=C(C=C4)OC)OC)C(=O)C1)C
InChI=1SC28H31NO7c128(2)1320(30)2422(1428)3626(29)25(27(31)345)23(24)166717(21(1216)334)15351910818(323)91119h61223H131529H215H3
methyl2amino4(3methoxy4((4methoxyphenoxy)methyl)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO4(3METHOXY4((4METHOXYPHENOXY)METHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
MFCD02175710
ZINC000002768503
ZINC000002768504
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