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-(1-methyl-1H-indol-6-yl)butanamide

Catalog ID
STL540544
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)n(C)cc3)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 C34H38N4O6 MW 598.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H38N4O6/c1-20(39)36-26-12-9-22-17-30(42-3)33(43-4)34(44-5)32(22)24-11-13-27(29(40)19-25(24)26)35-15-6-7-31(41)37-23-10-8-21-14-16-38(2)28(21)18-23/h8,10-11,13-14,16-19,26H,6-7,9,12,15H2,1-5H3,(H,35,40)(H,36,39)(H,37,41)/t26-/m0/s1
InChIKey
QXHADGNCYANRDI-SANMLTNESA-N
Synonyms
1574391-43-7
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl1Hindol6yl)butanamide
1574391437
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1methylindol6yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl1Hindol6yl)butanamide
75492388
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)n(C)cc3)NC(=O)C)cc(c1OC)OC
InChI=1SC34H38N4O6c120(39)3626129221730(423)33(434)34(445)32(22)24111327(29(40)1925(24)26)35156731(41)372310821141638(2)28(21)1823h810111314161926H6791215H215H3(H3540)(H3639)(H3741)t26m0s1
ZINC000108451010
ZINC108451010

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Available files

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