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-methoxyphenyl)-L-alaninamide

Catalog ID
STL541287
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)Nc1ccccc1OC)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 C31H35N3O7 MW 561.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O7/c1-17(31(37)34-24-9-7-8-10-26(24)38-3)32-23-14-12-20-21(16-25(23)36)22(33-18(2)35)13-11-19-15-27(39-4)29(40-5)30(41-6)28(19)20/h7-10,12,14-17,22H,11,13H2,1-6H3,(H,32,36)(H,33,35)(H,34,37)/t17-,22-/m0/s1
InChIKey
DJGCDPJCEKCEIO-JTSKRJEESA-N
Synonyms
1574391-03-9
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2methoxyphenyl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2methoxyphenyl)propanamide
1574391039
75491856
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)Nc1ccccc1OC)C
InChI=1SC31H35N3O7c117(31(37)34249781026(24)383)322314122021(1625(23)36)22(3318(2)35)1311191527(394)29(405)30(416)28(19)20h71012141722H1113H216H3(H3236)(H3335)(H3437)t1722m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2methoxyphenyl)Lalaninamide
ZINC000108449708
ZINC108449708

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Available files

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