Vitas-M small molecule compound
methyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL174312
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1cccc(c1)C(F)(F)F)OC)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 C28H28F3NO6 MW 531.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28F3NO6/c1-27(2)12-19(33)23-21(13-27)38-25(32)24(26(34)36-4)22(23)15-8-9-20(35-3)16(10-15)14-37-18-7-5-6-17(11-18)28(29,30)31/h5-11,22H,12-14,32H2,1-4H3InChIKey
DCUNCEZSPMDIPS-UHFFFAOYSA-NSynonyms
515874-56-3515874563
CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=C(C=C3)OC)COC4=CC=CC(=C4)C(F)(F)F)C(=O)C1)C
InChI=1SC28H28F3NO6c127(2)1219(33)2321(1327)3825(32)24(26(34)364)22(23)158920(353)16(1015)14371875617(1118)28(2930)31h51122H121432H214H3
methyl2amino4(4methoxy3((3(trifluoromethyl)phenoxy)methyl)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO4(4METHOXY3((3(TRIFLUOROMETHYL)PHENOXY)METHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
MFCD02609485
ZINC000002801805
ZINC000002801806
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