Vitas-M small molecule compound
[6-methoxy-1-(4-nitrophenyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](thiophen-2-yl)methanone
Catalog ID
STK783410
SMILES COc1ccc2c(c1)c1CCN(C(c1[nH]2)c1ccc(cc1)[N+](=O)[O-])C(=O)c1cccs1
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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 C23H19N3O4S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O4S/c1-30-16-8-9-19-18(13-16)17-10-11-25(23(27)20-3-2-12-31-20)22(21(17)24-19)14-4-6-15(7-5-14)26(28)29/h2-9,12-13,22,24H,10-11H2,1H3InChIKey
JQPDCTQLWUKKLR-UHFFFAOYSA-NSynonyms
(6methoxy1(4nitrophenyl)1349tetrahydro2Hbetacarbolin2yl)(thiophen2yl)methanone
(6methoxy1(4nitrophenyl)1349tetrahydropyrido(34b)indol2yl)thiophen2ylmethanone
COC1=CC2=C(C=C1)NC3=C2CCN(C3C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C5=CC=CS5
COc1ccc2c(c1)c1CCN(C(c1(nH)2)c1ccc(cc1)(N+)(=O)(O))C(=O)c1cccs1
InChI=1SC23H19N3O4Sc13016891918(1316)17101125(23(27)2032123120)22(21(17)2419)144615(7514)26(28)29h2912132224H1011H21H3
MFCD06618176
ZINC000012371476
ZINC000012371477
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