Vitas-M small molecule compound
[6-methoxy-1-(4-nitrophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
Catalog ID
STK782740
SMILES COc1ccc2c(c1)c1CCN(C(c1[nH]2)c1ccc(cc1)[N+](=O)[O-])C(=O)C12CC3CC(C2)CC(C1)C3
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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 C29H31N3O4 MW 485.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4/c1-36-22-6-7-25-24(13-22)23-8-9-31(27(26(23)30-25)20-2-4-21(5-3-20)32(34)35)28(33)29-14-17-10-18(15-29)12-19(11-17)16-29/h2-7,13,17-19,27,30H,8-12,14-16H2,1H3InChIKey
IFTHONZPBXCILH-UHFFFAOYSA-NSynonyms
(6methoxy1(4nitrophenyl)1349tetrahydro2Hbetacarbolin2yl)(tricyclo(3311~37~)dec1yl)methanone
1adamantyl(6methoxy1(4nitrophenyl)1349tetrahydropyrido(34b)indol2yl)methanone
COC1=CC2=C(C=C1)NC3=C2CCN(C3C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C56CC7CC(C5)CC(C7)C6
COc1ccc2c(c1)c1CCN(C(c1(nH)2)c1ccc(cc1)(N+)(=O)(O))C(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC29H31N3O4c13622672524(1322)238931(27(26(23)3025)202421(5320)32(34)35)28(33)2914171018(1529)1219(1117)1629h271317192730H8121416H21H3
MFCD06616687
ZINC000012371452
ZINC000012371453
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