Vitas-M small molecule compound
(1'S,2'S,3R,3a'R)-2'-[(4-methoxyphenyl)carbonyl]-7'-methyl-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL531619
SMILES COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)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 C35H28N2O4 MW 540.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28N2O4/c1-21-12-18-28-24(20-21)15-19-29-35(26-10-6-7-11-27(26)36-34(35)40)30(32(38)23-13-16-25(41-2)17-14-23)31(37(28)29)33(39)22-8-4-3-5-9-22/h3-20,29-31H,1-2H3,(H,36,40)/t29-,30+,31+,35-/m1/s1InChIKey
CNEFDFJDDGBDOU-ZXFZPVEDSA-NSynonyms
1177790-22-5(1~(S)2~(S)3~(R)3~(a)~(R))1benzoyl2(4methoxybenzoyl)7methylspiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2S3R3aR)1benzoyl2(4methoxybenzoyl)7methyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)2((4methoxyphenyl)carbonyl)7methyl1(phenylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1177790225
16399635
COc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccccc2)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C
InChI=1SC35H28N2O4c12112182824(2021)15192935(2610671127(26)3634(35)40)30(32(38)23131625(412)171423)31(37(28)29)33(39)228435922h3202931H12H3(H3640)t2930+31+35m1s1
MFCD04144769
ZINC000070686629
ZINC70686629
Check stock
See real-time availability and sample size for STL531619 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.