Vitas-M small molecule compound

3-[2-(4-methoxyphenyl)ethyl]-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione

Catalog ID
STK598032
SMILES COc1ccc(cc1)CCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1cccc(c1)[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 C27H22N4O5 MW 482.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O5/c1-29-22-9-4-3-8-21(22)24(32)23-26(29)28-25(18-6-5-7-19(16-18)31(34)35)30(27(23)33)15-14-17-10-12-20(36-2)13-11-17/h3-13,16H,14-15H2,1-2H3
InChIKey
PYOGCUUXTLPEIK-UHFFFAOYSA-N
Synonyms
879442-01-0
3(2(4methoxyphenyl)ethyl)10methyl2(3nitrophenyl)pyrimido(45b)quinoline45(3H10H)dione
3(2(4METHOXYPHENYL)ETHYL)10METHYL2(3NITROPHENYL)PYRIMIDO(45B)QUINOLINE45DIONE
3(4methoxyphenethyl)10methyl2(3nitrophenyl)pyrimido(45b)quinoline45(3H10H)dione
879442010
CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC=C(C=C4)OC)C5=CC(=CC=C5)(N+)(=O)(O)
COc1ccc(cc1)CCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC27H22N4O5c12922943821(22)24(32)2326(29)2825(1865719(1618)31(34)35)30(27(23)33)151417101220(362)131117h31316H1415H212H3
MFCD06608417
ZINC000002339872
ZINC02339872
ZINC2339872

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Available files

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