Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-methyl-4H-chromen-4-one
Catalog ID
STK525999
SMILES Cc1oc2cc(ccc2c(=O)c1c1ccc2c(c1)OCCCO2)Oc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
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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 C26H17F3N2O9 MW 558.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17F3N2O9/c1-13-23(14-3-6-20-22(9-14)38-8-2-7-37-20)24(32)17-5-4-16(12-21(17)39-13)40-25-18(30(33)34)10-15(26(27,28)29)11-19(25)31(35)36/h3-6,9-12H,2,7-8H2,1H3InChIKey
CWHOVOITNHANEZ-UHFFFAOYSA-NSynonyms
3(34dihydro2H15benzodioxepin7yl)7(26dinitro4(trifluoromethyl)phenoxy)2methyl4Hchromen4one
3(34DIHYDRO2H15BENZODIOXEPIN7YL)7(26DINITRO4(TRIFLUOROMETHYL)PHENOXY)2METHYLCHROMEN4ONE
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)7(26dinitro4(trifluoromethyl)phenoxy)2methyl4Hchromen4one
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC3=C(C=C(C=C3(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))C4=CC5=C(C=C4)OCCCO5
Cc1oc2cc(ccc2c(=O)c1c1ccc2c(c1)OCCCO2)Oc1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
InChI=1SC26H17F3N2O9c11323(14362022(914)388273720)24(32)175416(1221(17)3913)402518(30(33)34)1015(26(2728)29)1119(25)31(35)36h36912H278H21H3
MFCD01035908
ZINC000001803545
ZINC01803545
ZINC1803545
Check stock
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Check stock on Vitas-MAvailable files
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