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-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)butanamide

Catalog ID
STL545895
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCC(=O)NC1CCCc2c1[nH]c1c2cccc1

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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 C37H42N4O6 MW 638.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N4O6/c1-21(42)39-28-16-14-22-19-32(45-2)36(46-3)37(47-4)34(22)24-15-17-29(31(43)20-26(24)28)38-18-8-13-33(44)40-30-12-7-10-25-23-9-5-6-11-27(23)41-35(25)30/h5-6,9,11,15,17,19-20,28,30,41H,7-8,10,12-14,16,18H2,1-4H3,(H,38,43)(H,39,42)(H,40,4
InChIKey
QQEKATQQNWYHLX-MBCWZBCWSA-N
Synonyms

110207612
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2349tetrahydro1~(H)carbazol1yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2349tetrahydro1Hcarbazol1yl)butanamide
4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2349tetrahydro1Hcarbazol1yl)butanamide
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCC(=O)NC1CCCc2c1(nH)c1c2cccc1
InChI=1SC37H42N4O6c121(42)39281614221932(452)36(463)37(474)34(22)24151729(31(43)2026(24)28)381881333(44)40301271025239561127(23)4135(25)30h5691115171920283041H781012141618H214H3(H3843)(H3942)(H4044)t2830?m0s1
ZINC000253412329
ZINC000253412330

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.