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-(1,3,5-trimethyl-1H-pyrazol-4-yl)-L-alaninamide
Catalog ID
STL543659
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)Nc1c(C)nn(c1C)C)C)NC(=O)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 C30H37N5O6 MW 563.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N5O6/c1-15-27(17(3)35(5)34-15)33-30(38)16(2)31-23-12-10-20-21(14-24(23)37)22(32-18(4)36)11-9-19-13-25(39-6)28(40-7)29(41-8)26(19)20/h10,12-14,16,22H,9,11H2,1-8H3,(H,31,37)(H,32,36)(H,33,38)/t16-,22-/m0/s1InChIKey
CSFGNFNQSTVDFK-AOMKIAJQSA-NSynonyms
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(135trimethylpyrazol4yl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(135trimethyl1Hpyrazol4yl)propanamide
100001866
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)Nc1c(C)nn(c1C)C)C)NC(=O)C
InChI=1SC30H37N5O6c11527(17(3)35(5)3415)3330(38)16(2)312312102021(1424(23)37)22(3218(4)36)119191325(396)28(407)29(418)26(19)20h1012141622H911H218H3(H3137)(H3236)(H3338)t1622m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(135trimethyl1Hpyrazol4yl)Lalaninamide
ZINC000218044164
ZINC218044164
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.