Vitas-M small molecule compound

N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[1-(propan-2-yl)-1H-indol-4-yl]-L-valinamide

Catalog ID
STL540847
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2cccc3c2ccn3C(C)C)C(C)C)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 C37H44N4O6 MW 640.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N4O6/c1-20(2)34(37(44)40-27-10-9-11-30-25(27)16-17-41(30)21(3)4)39-29-15-13-24-26(19-31(29)43)28(38-22(5)42)14-12-23-18-32(45-6)35(46-7)36(47-8)33(23)24/h9-11,13,15-21,28,34H,12,14H2,1-8H3,(H,38,42)(H,39,43)(H,40,44)/t28-,34-/m0/s1
InChIKey
FAUJWPWJQYHODO-GVYVVWIYSA-N
Synonyms
1574362-67-6
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(1propan2ylindol4yl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1isopropyl1Hindol4yl)3methylbutanamide
1574362676
75491527
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2cccc3c2ccn3C(C)C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC37H44N4O6c120(2)34(37(44)4027109113025(27)161741(30)21(3)4)392915132426(1931(29)43)28(3822(5)42)1412231832(456)35(467)36(478)33(23)24h9111315212834H1214H218H3(H3842)(H3943)(H4044)t2834m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1(propan2yl)1Hindol4yl)Lvalinamide
ZINC000108448854
ZINC108448854

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Available files

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