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-(4-methoxyphenyl)-L-leucinamide

Catalog ID
STL543517
SMILES COc1ccc(cc1)NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(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 C34H41N3O7 MW 603.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O7/c1-19(2)16-28(34(40)36-22-9-11-23(41-4)12-10-22)37-27-15-13-24-25(18-29(27)39)26(35-20(3)38)14-8-21-17-30(42-5)32(43-6)33(44-7)31(21)24/h9-13,15,17-19,26,28H,8,14,16H2,1-7H3,(H,35,38)(H,36,40)(H,37,39)/t26-,28-/m0/s1
InChIKey
KYUPJNFUGDFFIJ-XCZPVHLTSA-N
Synonyms
1574352-55-8
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4methoxyphenyl)4methylpentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4methoxyphenyl)4methylpentanamide
1574352558
75492562
COc1ccc(cc1)NC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC34H41N3O7c119(2)1628(34(40)362291123(414)121022)372715132425(1829(27)39)26(3520(3)38)148211730(425)32(436)33(447)31(21)24h9131517192628H81416H217H3(H3538)(H3640)(H3739)t2628m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4methoxyphenyl)Lleucinamide
ZINC000108451497
ZINC108451497

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Available files

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