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-(5-methoxy-1H-indol-3-yl)ethyl]-L-alaninamide

Catalog ID
STL541511
SMILES COc1ccc2c(c1)c(CCNC(=O)[C@@H](Nc1ccc3c(cc1=O)[C@H](CCc1c3c(OC)c(c(c1)OC)OC)NC(=O)C)C)c[nH]2

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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 C35H40N4O7 MW 628.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N4O7/c1-19(35(42)36-14-13-22-18-37-27-11-8-23(43-3)16-25(22)27)38-29-12-9-24-26(17-30(29)41)28(39-20(2)40)10-7-21-15-31(44-4)33(45-5)34(46-6)32(21)24/h8-9,11-12,15-19,28,37H,7,10,13-14H2,1-6H3,(H,36,42)(H,38,41)(H,39,40)/t19-,28-/m0/s1
InChIKey
VBAWGYYYTMDPOT-VKGTZQKMSA-N
Synonyms
1574353-57-3
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(5methoxy1~(H)indol3yl)ethyl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(5methoxy1Hindol3yl)ethyl)propanamide
1574353573
75491067
COc1ccc2c(c1)c(CCNC(=O)(C@@H)(Nc1ccc3c(cc1=O)(C@H)(CCc1c3c(OC)c(c(c1)OC)OC)NC(=O)C)C)c(nH)2
InChI=1SC35H40N4O7c119(35(42)3614132218372711823(433)1625(22)27)38291292426(1730(29)41)28(3920(2)40)107211531(444)33(455)34(466)32(21)24h89111215192837H7101314H216H3(H3642)(H3841)(H3940)t1928m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(5methoxy1Hindol3yl)ethyl)Lalaninamide
ZINC000108447592
ZINC108447592

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Available files

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