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-methoxybenzyl)-L-alaninamide

Catalog ID
STL541214
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCc1ccccc1OC)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 C32H37N3O7 MW 575.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N3O7/c1-18(32(38)33-17-21-9-7-8-10-27(21)39-3)34-25-14-12-22-23(16-26(25)37)24(35-19(2)36)13-11-20-15-28(40-4)30(41-5)31(42-6)29(20)22/h7-10,12,14-16,18,24H,11,13,17H2,1-6H3,(H,33,38)(H,34,37)(H,35,36)/t18-,24-/m0/s1
InChIKey
ATZUGWFQRHFWPD-UUOWRZLLSA-N
Synonyms
1574381-04-6
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((2methoxyphenyl)methyl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2methoxybenzyl)propanamide
1574381046
75491329
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)NCc1ccccc1OC)C
InChI=1SC32H37N3O7c118(32(38)3317219781027(21)393)342514122223(1626(25)37)24(3519(2)36)1311201528(404)30(415)31(426)29(20)22h7101214161824H111317H216H3(H3338)(H3437)(H3536)t1824m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2methoxybenzyl)Lalaninamide
ZINC000108448347
ZINC108448347

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Available files

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