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-(1H-1,2,4-triazol-1-ylmethyl)phenyl]butanamide

Catalog ID
STL540877
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc(cc2)Cn2cncn2)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 C34H38N6O6 MW 626.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N6O6/c1-21(41)38-27-13-9-23-16-30(44-2)33(45-3)34(46-4)32(23)25-12-14-28(29(42)17-26(25)27)36-15-5-6-31(43)39-24-10-7-22(8-11-24)18-40-20-35-19-37-40/h7-8,10-12,14,16-17,19-20,27H,5-6,9,13,15,18H2,1-4H3,(H,36,42)(H,38,41)(H,39,43)/t27-/m0/s
InChIKey
BCFOYBAUFXDFSJ-MHZLTWQESA-N
Synonyms
1630915-16-0
(S)N(4((1H124triazol1yl)methyl)phenyl)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamide
1630915160
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(124triazol1ylmethyl)phenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(1H124triazol1ylmethyl)phenyl)butanamide
91637037
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc(cc2)Cn2cncn2)NC(=O)C)cc(c1OC)OC
InChI=1SC34H38N6O6c121(41)3827139231630(442)33(453)34(464)32(23)25121428(29(42)1726(25)27)36155631(43)392410722(81124)18402035193740h781012141617192027H569131518H214H3(H3642)(H3841)(H3943)t27m0s1
ZINC000217684596
ZINC217684596

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Available files

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