Vitas-M small molecule compound
1-[1-(4-chloro-3-nitrophenyl)-6-methoxy-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]-2-phenylethanone
Catalog ID
STK783349
SMILES COc1ccc2c(c1)c1CCN(C(c1[nH]2)c1ccc(c(c1)[N+](=O)[O-])Cl)C(=O)Cc1ccccc1
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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 C26H22ClN3O4 MW 475.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O4/c1-34-18-8-10-22-20(15-18)19-11-12-29(24(31)13-16-5-3-2-4-6-16)26(25(19)28-22)17-7-9-21(27)23(14-17)30(32)33/h2-10,14-15,26,28H,11-13H2,1H3InChIKey
XXBMSCULCIZYAH-UHFFFAOYSA-NSynonyms
1(1(4chloro3nitrophenyl)6methoxy1349tetrahydro2Hbetacarbolin2yl)2phenylethanone
1(1(4chloro3nitrophenyl)6methoxy1349tetrahydropyrido(34b)indol2yl)2phenylethanone
COC1=CC2=C(C=C1)NC3=C2CCN(C3C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C(=O)CC5=CC=CC=C5
COc1ccc2c(c1)c1CCN(C(c1(nH)2)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)Cc1ccccc1
InChI=1SC26H22ClN3O4c134188102220(1518)19111229(24(31)13165324616)26(25(19)2822)177921(27)23(1417)30(32)33h21014152628H1113H21H3
MFCD06618088
ZINC000012371454
ZINC000012371455
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