Vitas-M small molecule compound

ethyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STK458995
SMILES CCOC(=O)c1sc(nc1C)NC(=O)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C21H26N4O5S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O5S/c1-3-28-20(27)19-14(2)22-21(31-19)23-18(26)12-25-8-6-24(7-9-25)11-15-4-5-16-17(10-15)30-13-29-16/h4-5,10H,3,6-9,11-13H2,1-2H3,(H,22,23,26)
InChIKey
XCLQYUUGNFDDRI-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N=C(S1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C
ethyl2(((4(13benzodioxol5ylmethyl)piperazin1yl)acetyl)amino)4methyl13thiazole5carboxylate
ethyl2((2(4(13benzodioxol5ylmethyl)piperazin1yl)acetyl)amino)4methyl13thiazole5carboxylate
ETHYL2(2(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)ACETYLAMINO)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC21H26N4O5Sc132820(27)1914(2)2221(3119)2318(26)12258624(7925)1115451617(1015)30132916h4510H3691113H212H3(H222326)
MFCD05147834
ZINC000019644810
ZINC19644810

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Available files

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