Vitas-M small molecule compound
[1-(4-chloro-3-nitrophenyl)-6-methoxy-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](thiophen-2-yl)methanone
Catalog ID
STK783412
SMILES COc1ccc2c(c1)c1CCN(C(c1[nH]2)c1ccc(c(c1)[N+](=O)[O-])Cl)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 C23H18ClN3O4S MW 467.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O4S/c1-31-14-5-7-18-16(12-14)15-8-9-26(23(28)20-3-2-10-32-20)22(21(15)25-18)13-4-6-17(24)19(11-13)27(29)30/h2-7,10-12,22,25H,8-9H2,1H3InChIKey
ALUWBILWSIWPFN-UHFFFAOYSA-NSynonyms
(1(4chloro3nitrophenyl)6methoxy1349tetrahydro2Hbetacarbolin2yl)(thiophen2yl)methanone
(1(4chloro3nitrophenyl)6methoxy1349tetrahydropyrido(34b)indol2yl)thiophen2ylmethanone
COC1=CC2=C(C=C1)NC3=C2CCN(C3C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C(=O)C5=CC=CS5
COc1ccc2c(c1)c1CCN(C(c1(nH)2)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)c1cccs1
InChI=1SC23H18ClN3O4Sc13114571816(1214)158926(23(28)2032103220)22(21(15)2518)134617(24)19(1113)27(29)30h2710122225H89H21H3
MFCD06618178
ZINC000012371474
ZINC000012371475
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