Vitas-M small molecule compound

4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]butanamide

Catalog ID
STL549856
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2n[nH]c(n2)c2ccco2)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 C31H34N6O7 MW 602.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N6O7/c1-17(38)33-21-11-9-18-15-25(41-2)28(42-3)29(43-4)27(18)19-10-12-22(23(39)16-20(19)21)32-13-5-8-26(40)34-31-35-30(36-37-31)24-7-6-14-44-24/h6-7,10,12,14-16,21H,5,8-9,11,13H2,1-4H3,(H,32,39)(H,33,38)(H2,34,35,36,37,40)
InChIKey
XVEDCUBOFBNDEP-UHFFFAOYSA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(furan2yl)1H124triazol5yl)butanamide
132286278
4((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(furan2yl)1H124triazol3yl)butanamide
4((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(furan2yl)1~(H)124triazol3yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2(nH)nc(n2)c2ccco2)NC(=O)C)cc(c1OC)OC
InChI=1SC31H34N6O7c117(38)3321119181525(412)28(423)29(434)27(18)19101222(23(39)1620(19)21)32135826(40)34313530(363731)2476144424h671012141621H5891113H214H3(H3239)(H3338)(H23435363740)
MFCD31757250
ZINC000604406014
ZINC000888090045

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Available files

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