Vitas-M small molecule compound
(1'S,2'R,3R,3a'S)-1'-acetyl-2'-(1,3-benzodioxol-5-ylcarbonyl)-7'-chloro-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL527037
SMILES Clc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C)[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2
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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 C29H21ClN2O5 MW 512.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O5/c1-15(33)26-25(27(34)17-6-10-22-23(13-17)37-14-36-22)29(19-4-2-3-5-20(19)31-28(29)35)24-11-7-16-12-18(30)8-9-21(16)32(24)26/h2-13,24-26H,14H2,1H3,(H,31,35)/t24-,25+,26+,29+/m0/s1InChIKey
ZGUNVYSSRMGHBO-YIPGRGJBSA-NSynonyms
1177756-07-8(1~(S)2~(R)3~(R)3~(a)~(S))1acetyl2(13benzodioxole5carbonyl)7chlorospiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2R3R3aS)1acetyl2(13benzodioxol5ylcarbonyl)7chloro12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2R3R3aS)1acetyl2(benzo(d)(13)dioxole5carbonyl)7chloro23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177756078
16397841
Clc1ccc2c(c1)C=C(C@@H)1N2(C@H)(C(=O)C)(C@@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2
InChI=1SC29H21ClN2O5c115(33)2625(27(34)176102223(1317)37143622)29(19423520(19)3128(29)35)24117161218(30)8921(16)32(24)26h2132426H14H21H3(H3135)t2425+26+29+m0s1
MFCD03267548
ZINC000008964784
ZINC8964784
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.