Vitas-M small molecule compound
methyl 4-{(3aS,4R,9bR)-8-[(1E)-1-{2-[methoxy(phenyl)acetyl]hydrazinylidene}ethyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl}benzoate
Catalog ID
STL169538
SMILES COC(=O)c1ccc(cc1)[C@@H]1Nc2ccc(cc2[C@H]2[C@@H]1CC=C2)/C(=N/NC(=O)C(c1ccccc1)OC)/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 C31H31N3O4 MW 509.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O4/c1-19(33-34-30(35)29(37-2)21-8-5-4-6-9-21)23-16-17-27-26(18-23)24-10-7-11-25(24)28(32-27)20-12-14-22(15-13-20)31(36)38-3/h4-10,12-18,24-25,28-29,32H,11H2,1-3H3,(H,34,35)/b33-19+/t24-,25+,28+,29?/m1/s1InChIKey
BKAIZLBGUQUUEI-DVZGCLHHSA-NSynonyms
CC(=NNC(=O)C(C1=CC=CC=C1)OC)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)C(=O)OC
COC(=O)c1ccc(cc1)(C@@H)1Nc2ccc(cc2(C@H)2(C@@H)1CC=C2)C(=NNC(=O)C(c1ccccc1)OC)C
InChI=1SC31H31N3O4c119(333430(35)29(372)218546921)2316172726(1823)241071125(24)28(3227)20121422(151320)31(36)383h41012182425282932H11H213H3(H3435)b3319+t2425+28+29?m1s1
methyl4((3aS4R9bR)8((1E)1(2(methoxy(phenyl)acetyl)hydrazinylidene)ethyl)3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoate
methyl4((3aS4R9bR)8((E)N((2methoxy2phenylacetyl)amino)Cmethylcarbonimidoyl)3a459btetrahydro3Hcyclopenta(c)quinolin4yl)benzoate
MFCD20732050
ZINC000008672630
ZINC000008673002
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.