Vitas-M small molecule compound
1-(4-chloro-3-nitrophenyl)-6-methoxy-2-[(4-methylphenyl)sulfonyl]-2,3,4,9-tetrahydro-1H-beta-carboline
Catalog ID
STK784330
SMILES COc1ccc2c(c1)c1CCN(C(c1[nH]2)c1ccc(c(c1)[N+](=O)[O-])Cl)S(=O)(=O)c1ccc(cc1)C
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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 C25H22ClN3O5S MW 511.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O5S/c1-15-3-7-18(8-4-15)35(32,33)28-12-11-19-20-14-17(34-2)6-10-22(20)27-24(19)25(28)16-5-9-21(26)23(13-16)29(30)31/h3-10,13-14,25,27H,11-12H2,1-2H3InChIKey
FNLGRKJGNSNLJU-UHFFFAOYSA-NSynonyms
1(4chloro3nitrophenyl)6methoxy2((4methylphenyl)sulfonyl)2349tetrahydro1Hbetacarboline
1(4chloro3nitrophenyl)6methoxy2(4methylphenyl)sulfonyl1349tetrahydropyrido(34b)indole
CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2C4=CC(=C(C=C4)Cl)(N+)(=O)(O))NC5=C3C=C(C=C5)OC
COc1ccc2c(c1)c1CCN(C(c1(nH)2)c1ccc(c(c1)(N+)(=O)(O))Cl)S(=O)(=O)c1ccc(cc1)C
InChI=1SC25H22ClN3O5Sc1153718(8415)35(3233)28121119201417(342)61022(20)2724(19)25(28)165921(26)23(1316)29(30)31h31013142527H1112H212H3
MFCD07021880
ZINC000012461835
ZINC000015022577
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