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-[3-(propan-2-yloxy)propyl]-L-isoleucinamide

Catalog ID
STL541937
SMILES CC[C@H]([C@@H](C(=O)NCCCOC(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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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 C33H47N3O7 MW 597.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H47N3O7/c1-9-20(4)30(33(39)34-15-10-16-43-19(2)3)36-26-14-12-23-24(18-27(26)38)25(35-21(5)37)13-11-22-17-28(40-6)31(41-7)32(42-8)29(22)23/h12,14,17-20,25,30H,9-11,13,15-16H2,1-8H3,(H,34,39)(H,35,37)(H,36,38)/t20-,25+,30+/m1/s1
InChIKey
STUGXTCGTMFMHA-MOXKEGGMSA-N
Synonyms
1574392-30-5
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(3propan2yloxypropyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3isopropoxypropyl)3methylpentanamide
1574392305
75492596
CC(C@H)((C@@H)(C(=O)NCCCOC(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H47N3O7c1920(4)30(33(39)341510164319(2)3)362614122324(1827(26)38)25(3521(5)37)1311221728(406)31(417)32(428)29(22)23h121417202530H911131516H218H3(H3439)(H3537)(H3638)t2025+30+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(propan2yloxy)propyl)Lisoleucinamide
ZINC000108451601
ZINC108451601

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Available files

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