Vitas-M small molecule compound
1-(8-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-4-[4-(methylsulfonyl)piperazin-1-yl]butane-1,4-dione
Catalog ID
STK646152
SMILES COc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)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 C21H28N4O5S MW 448.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O5S/c1-30-15-3-4-18-16(13-15)17-14-24(8-7-19(17)22-18)21(27)6-5-20(26)23-9-11-25(12-10-23)31(2,28)29/h3-4,13,22H,5-12,14H2,1-2H3InChIKey
XFSPYMFDYIHWEJ-UHFFFAOYSA-NSynonyms
1081129-33-01(8methoxy1345tetrahydro2Hpyrido(43b)indol2yl)4(4(methylsulfonyl)piperazin1yl)butane14dione
1(8methoxy1345tetrahydropyrido(43b)indol2yl)4(4methylsulfonylpiperazin1yl)butane14dione
1(8methoxy34dihydro1Hpyrido(43b)indol2(5H)yl)4(4(methylsulfonyl)piperazin1yl)butane14dione
1081129330
COC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CCC(=O)N4CCN(CC4)S(=O)(=O)C
COc1ccc2c(c1)c1CN(CCc1(nH)2)C(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C
InChI=1SC21H28N4O5Sc13015341816(1315)171424(8719(17)2218)21(27)6520(26)2391125(121023)31(228)29h341322H51214H212H3
MFCD12207909
ZINC000020730280
ZINC20730280
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