Vitas-M small molecule compound
N-{2-[2-methyl-6-(trifluoromethoxy)-1H-indol-3-yl]ethyl}-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Catalog ID
STK679997
SMILES O=C(c1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)NCCc1c(C)[nH]c2c1ccc(c2)OC(F)(F)F
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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 C27H18F3N3O6 MW 537.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18F3N3O6/c1-13-15(16-7-6-14(12-21(16)32-13)39-27(28,29)30)10-11-31-26(36)20-9-8-19-22(23(20)33(37)38)25(35)18-5-3-2-4-17(18)24(19)34/h2-9,12,32H,10-11H2,1H3,(H,31,36)InChIKey
KNQIULAPDBWPJJ-UHFFFAOYSA-NSynonyms
CC1=C(C2=C(N1)C=C(C=C2)OC(F)(F)F)CCNC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)(N+)(=O)(O)
InChI=1SC27H18F3N3O6c11315(167614(1221(16)3213)3927(2829)30)10113126(36)20981922(23(20)33(37)38)25(35)18532417(18)24(19)34h291232H1011H21H3(H3136)
MFCD03766592
N(2(2methyl6(trifluoromethoxy)1Hindol3yl)ethyl)1nitro910dioxo910dihydroanthracene2carboxamide
N(2(2METHYL6(TRIFLUOROMETHOXY)1HINDOL3YL)ETHYL)1NITRO910DIOXOANTHRACENE2CARBOXAMIDE
O=C(c1ccc2c(c1(N+)(=O)(O))C(=O)c1c(C2=O)cccc1)NCCc1c(C)(nH)c2c1ccc(c2)OC(F)(F)F
ZINC000098005128
ZINC98005128
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