Vitas-M small molecule compound
methyl 2-amino-4-{3-chloro-4-[(3-nitrobenzyl)oxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL369923
SMILES COC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)Cl)OCc1cccc(c1)[N+](=O)[O-])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 C26H25ClN2O7 MW 512.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O7/c1-26(2)11-18(30)22-20(12-26)36-24(28)23(25(31)34-3)21(22)15-7-8-19(17(27)10-15)35-13-14-5-4-6-16(9-14)29(32)33/h4-10,21H,11-13,28H2,1-3H3InChIKey
UWRDNQQRZKYJFK-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=C(C=C3)OCC4=CC(=CC=C4)(N+)(=O)(O))Cl)C(=O)C1)C
COC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)Cl)OCc1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)(C)C
InChI=1SC26H25ClN2O7c126(2)1118(30)2220(1226)3624(28)23(25(31)343)21(22)157819(17(27)1015)35131454616(914)29(32)33h41021H111328H213H3
methyl2amino4(3chloro4((3nitrobenzyl)oxy)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO4(3CHLORO4((3NITROPHENYL)METHOXY)PHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
MFCD05816071
ZINC000001148603
ZINC000001148606
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