Vitas-M small molecule compound
methyl 3-{[1-(abieta-8,11,13-trien-18-yl)-3,4-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]amino}-3-(2,4-dimethylphenyl)propanoate
Catalog ID
STK003374
SMILES COC(=O)CC(c1ccc(cc1C)C)NC1C(=C(C(=O)N1CC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C)C)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 C38H52N2O3 MW 584.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H52N2O3/c1-23(2)28-12-15-31-29(20-28)13-16-33-37(7,17-10-18-38(31,33)8)22-40-35(26(5)27(6)36(40)42)39-32(21-34(41)43-9)30-14-11-24(3)19-25(30)4/h11-12,14-15,19-20,23,32-33,35,39H,10,13,16-18,21-22H2,1-9H3InChIKey
PUQWQRQRAFROSL-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C(CC(=O)OC)NC2C(=C(C(=O)N2CC3(CCCC4(C3CCC5=C4C=CC(=C5)C(C)C)C)C)C)C)C
COC(=O)CC(c1ccc(cc1C)C)NC1C(=C(C(=O)N1CC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C)C)C
InChI=1SC38H52N2O3c123(2)2812153129(2028)13163337(717101838(3133)8)224035(26(5)27(6)36(40)42)3932(2134(41)439)30141124(3)1925(30)4h1112141519202332333539H101316182122H219H3
methyl3((1((14adimethyl7propan2yl23491010ahexahydrophenanthren1yl)methyl)34dimethyl5oxo2Hpyrrol2yl)amino)3(24dimethylphenyl)propanoate
methyl3((1(abieta81113trien18yl)34dimethyl5oxo25dihydro1Hpyrrol2yl)amino)3(24dimethylphenyl)propanoate
MFCD08049100
STK003374
ZINC000098044722
ZINC000239174344
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.