Vitas-M small molecule compound
4-({2-oxo-2'-[(4-pentylphenyl)carbonyl]-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-1'-yl}carbonyl)phenyl acetate
Catalog ID
STK568320
SMILES CCCCCc1ccc(cc1)C(=O)C1C(C(=O)c2ccc(cc2)OC(=O)C)N2C(C31C(=O)Nc1c3cccc1)C=Cc1c2cccc1
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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 C40H36N2O5 MW 624.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H36N2O5/c1-3-4-5-10-26-15-17-28(18-16-26)37(44)35-36(38(45)29-19-22-30(23-20-29)47-25(2)43)42-33-14-9-6-11-27(33)21-24-34(42)40(35)31-12-7-8-13-32(31)41-39(40)46/h6-9,11-24,34-36H,3-5,10H2,1-2H3,(H,41,46)InChIKey
ODLMDFGRYDHVQJ-UHFFFAOYSA-NSynonyms
(4(2oxo2(4pentylbenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)1carbonyl)phenyl)acetate
4((1S2S3R3aR)2oxo2(4pentylbenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)1ylcarbonyl)phenylacetate
4((2oxo2((4pentylphenyl)carbonyl)1122tetrahydro3aHspiro(indole33pyrrolo(12a)quinolin)1yl)carbonyl)phenylacetate
CCCCCC1=CC=C(C=C1)C(=O)C2C(N3C(C24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)OC(=O)C
CCCCCc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)OC(=O)C)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2cccc1
InChI=1SC40H36N2O5c13451026151728(181626)37(44)3536(38(45)29192230(232029)4725(2)43)423314961127(33)212434(42)40(35)3112781332(31)4139(40)46h6911243436H3510H212H3(H4146)
MFCD05735579
ZINC000102551687
ZINC000245327310
Check stock
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Check stock on Vitas-MAvailable files
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