Vitas-M small molecule compound

methyl 4-[(4-methoxy-2-nitrophenyl)amino]-6-(4-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate

Catalog ID
STK682115
SMILES COc1ccc(cc1)C1CC(=CC(=O)C1C(=O)OC)Nc1ccc(cc1[N+](=O)[O-])OC

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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 C22H22N2O7 MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O7/c1-29-15-6-4-13(5-7-15)17-10-14(11-20(25)21(17)22(26)31-3)23-18-9-8-16(30-2)12-19(18)24(27)28/h4-9,11-12,17,21,23H,10H2,1-3H3
InChIKey
CGPVEQLKXPLWBV-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OC)NC3=C(C=C(C=C3)OC)(N+)(=O)(O)
COc1ccc(cc1)C1CC(=CC(=O)C1C(=O)OC)Nc1ccc(cc1(N+)(=O)(O))OC
InChI=1SC22H22N2O7c129156413(5715)171014(1120(25)21(17)22(26)313)23189816(302)1219(18)24(27)28h491112172123H10H213H3
methyl4((4methoxy2nitrophenyl)amino)6(4methoxyphenyl)2oxocyclohex3ene1carboxylate
METHYL4(4METHOXY2NITROANILINO)6(4METHOXYPHENYL)2OXOCYCLOHEX3ENE1CARBOXYLATE
MFCD03821336
ZINC000008846822
ZINC000008846825

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Available files

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