Vitas-M small molecule compound
4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]butanamide
Catalog ID
STL545818
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2scc(n2)c2cccs2)NC(=O)C)cc(c1OC)OC
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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 C32H34N4O6S2 MW 634.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N4O6S2/c1-18(37)34-22-11-9-19-15-26(40-2)30(41-3)31(42-4)29(19)20-10-12-23(25(38)16-21(20)22)33-13-5-8-28(39)36-32-35-24(17-44-32)27-7-6-14-43-27/h6-7,10,12,14-17,22H,5,8-9,11,13H2,1-4H3,(H,33,38)(H,34,37)(H,35,36,39)/t22-/m0/s1InChIKey
GRCZUVBQZLCPRB-QFIPXVFZSA-NSynonyms
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(thiophen2yl)thiazol2yl)butanamide
110206878
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4thiophen2yl13thiazol2yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(thiophen2yl)13thiazol2yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2scc(n2)c2cccs2)NC(=O)C)cc(c1OC)OC
InChI=1SC32H34N4O6S2c118(37)3422119191526(402)30(413)31(424)29(19)20101223(25(38)1621(20)22)33135828(39)36323524(174432)2776144327h671012141722H5891113H214H3(H3338)(H3437)(H353639)t22m0s1
ZINC000253402822
ZINC253402822
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.