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-[2-(morpholin-4-yl)ethyl]-L-leucinamide

Catalog ID
STL542126
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCN2CCOCC2)CC(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 C33H46N4O7 MW 610.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H46N4O7/c1-20(2)17-27(33(40)34-11-12-37-13-15-44-16-14-37)36-26-10-8-23-24(19-28(26)39)25(35-21(3)38)9-7-22-18-29(41-4)31(42-5)32(43-6)30(22)23/h8,10,18-20,25,27H,7,9,11-17H2,1-6H3,(H,34,40)(H,35,38)(H,36,39)/t25-,27-/m0/s1
InChIKey
UZFFDZFXLWBFRN-BDYUSTAISA-N
Synonyms
1574353-29-9
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methyl~(N)(2morpholin4ylethyl)pentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylN(2morpholinoethyl)pentanamide
1574353299
75491339
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCN2CCOCC2)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC33H46N4O7c120(2)1727(33(40)34111237131544161437)36261082324(1928(26)39)25(3521(3)38)97221829(414)31(425)32(436)30(22)23h81018202527H791117H216H3(H3440)(H3538)(H3639)t2527m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(morpholin4yl)ethyl)Lleucinamide
ZINC000108448378
ZINC108448378

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Available files

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