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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)glycinamide

Catalog ID
STL542396
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCC(=O)NCC2CC3CC2C=C3)NC(=O)C)cc(c1OC)OC

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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 C31H37N3O6 MW 547.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O6/c1-17(35)34-24-9-7-20-13-27(38-2)30(39-3)31(40-4)29(20)22-8-10-25(26(36)14-23(22)24)32-16-28(37)33-15-21-12-18-5-6-19(21)11-18/h5-6,8,10,13-14,18-19,21,24H,7,9,11-12,15-16H2,1-4H3,(H,32,36)(H,33,37)(H,34,35)/t18?,19?,21?,24-/m0/s1
InChIKey
GRTCNAVLWUHNKF-KSAYNYSMSA-N
Synonyms
1630940-05-4
1630940054
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2bicyclo(221)hept5enylmethyl)acetamide
2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((2R)bicyclo(221)hept5en2ylmethyl)acetamide
91637578
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)NCC2CC3CC2C=C3)NC(=O)C)cc(c1OC)OC
InChI=1SC31H37N3O6c117(35)342497201327(382)30(393)31(404)29(20)2281025(26(36)1423(22)24)321628(37)33152112185619(21)1118h56810131418192124H7911121516H214H3(H3236)(H3337)(H3435)t18?19?21?24m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(bicyclo(221)hept5en2ylmethyl)glycinamide
ZINC000217768637
ZINC000225413825

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Available files

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

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