Vitas-M small molecule compound
N-{(2S)-1-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-methyl-1-oxopentan-2-yl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Catalog ID
STK636443
SMILES CC(C[C@@H](C(=O)NC1CCS(=O)(=O)C1)NC(=O)c1ccc2c(c1)sc(n2)n1cccc1)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 C22H26N4O4S2 MW 474.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4S2/c1-14(2)11-18(21(28)23-16-7-10-32(29,30)13-16)24-20(27)15-5-6-17-19(12-15)31-22(25-17)26-8-3-4-9-26/h3-6,8-9,12,14,16,18H,7,10-11,13H2,1-2H3,(H,23,28)(H,24,27)/t16?,18-/m0/s1InChIKey
XHSONNJPTRLIMG-DAFXYXGESA-NSynonyms
1214625-86-11214625861
CC(C(C@@H)(C(=O)NC1CCS(=O)(=O)C1)NC(=O)c1ccc2c(c1)sc(n2)n1cccc1)C
CC(C)CC(C(=O)NC1CCS(=O)(=O)C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4
InChI=1SC22H26N4O4S2c114(2)1118(21(28)231671032(2930)1316)2420(27)15561719(1215)3122(2517)26834926h368912141618H7101113H212H3(H2328)(H2427)t16?18m0s1
MFCD18161064
N((2S)1((11dioxidotetrahydrothiophen3yl)amino)4methyl1oxopentan2yl)2(1Hpyrrol1yl)13benzothiazole6carboxamide
N((2S)1((11dioxidotetrahydrothiophen3yl)amino)4methyl1oxopentan2yl)2(1Hpyrrol1yl)benzo(d)thiazole6carboxamide
N((2S)1((11dioxothiolan3yl)amino)4methyl1oxopentan2yl)2pyrrol1yl13benzothiazole6carboxamide
ZINC000012322825
ZINC000012322826
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.