Vitas-M small molecule compound
(1'S,2'S,3R,3a'R)-1'-acetyl-7'-methoxy-2'-[(4-methylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL538435
SMILES COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)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 C30H26N2O4 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O4/c1-17-8-10-19(11-9-17)28(34)26-27(18(2)33)32-24-14-13-21(36-3)16-20(24)12-15-25(32)30(26)22-6-4-5-7-23(22)31-29(30)35/h4-16,25-27H,1-3H3,(H,31,35)/t25-,26+,27-,30-/m1/s1InChIKey
TTXBHBPHACKKMI-UUROJUAVSA-NSynonyms
1177850-31-5(1~(S)2~(S)3~(R)3~(a)~(R))1acetyl7methoxy2(4methylbenzoyl)spiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2S3R3aR)1acetyl7methoxy2((4methylphenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)1acetyl7methoxy2(4methylbenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177850315
16401350
COc1ccc2c(c1)C=C(C@H)1N2(C@H)(C(=O)C)(C@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)C
InChI=1SC30H26N2O4c11781019(11917)28(34)2627(18(2)33)3224141321(363)1620(24)121525(32)30(26)22645723(22)3129(30)35h4162527H13H3(H3135)t2526+2730m1s1
MFCD05674157
ZINC000008918600
ZINC8918600
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.