Vitas-M small molecule compound
N-cyclohexyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-8,11-dioxo-2-oxa-9,12-diazatricyclo[13.3.1.1~3,7~]icosa-1(19),3(20),4,6,15,17-hexaene-13-carboxamide
Catalog ID
STK686431
SMILES COc1ccc(cc1OC)CCN1CC(=O)NC(Cc2cccc(Oc3cc(C1=O)ccc3[N+](=O)[O-])c2)C(=O)NC1CCCCC1
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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 C34H38N4O8 MW 630.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N4O8/c1-44-29-14-11-22(19-31(29)45-2)15-16-37-21-32(39)36-27(33(40)35-25-8-4-3-5-9-25)18-23-7-6-10-26(17-23)46-30-20-24(34(37)41)12-13-28(30)38(42)43/h6-7,10-14,17,19-20,25,27H,3-5,8-9,15-16,18,21H2,1-2H3,(H,35,40)(H,36,39)InChIKey
FCMZFVLNNARQDB-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)CCN2CC(=O)NC(CC3=CC(=CC=C3)OC4=C(C=CC(=C4)C2=O)(N+)(=O)(O))C(=O)NC5CCCCC5)OC
COc1ccc(cc1OC)CCN1CC(=O)NC(Cc2cccc(Oc3cc(C1=O)ccc3(N+)(=O)(O))c2)C(=O)NC1CCCCC1
InChI=1SC34H38N4O8c14429141122(1931(29)452)1516372132(39)3627(33(40)35258435925)1823761026(1723)46302024(34(37)41)121328(30)38(42)43h6710141719202527H358915161821H212H3(H3540)(H3639)
MFCD06015774
Ncyclohexyl9(2(34dimethoxyphenyl)ethyl)4nitro811dioxo2oxa912diazatricyclo(13311~37~)icosa1(19)3(20)461517hexaene13carboxamide
ZINC000098007968
ZINC000098007969
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