Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-2'-[(2,5-dimethoxyphenyl)carbonyl]-5'-methyl-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STL538024
SMILES COc1ccc(c(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)C)OC

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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 C36H30N2O5 MW 570.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O5/c1-21-19-30-36(26-14-8-9-15-27(26)37-35(36)41)31(34(40)25-20-23(42-2)17-18-29(25)43-3)32(33(39)22-11-5-4-6-12-22)38(30)28-16-10-7-13-24(21)28/h4-20,30-32H,1-3H3,(H,37,41)/t30-,31+,32+,36-/m1/s1
InChIKey
CFVGMNJRKQYLEC-RCFASBGUSA-N
Synonyms
1177791-01-3
(1~(S)2~(S)3~(R)3~(a)~(R))1benzoyl2(25dimethoxybenzoyl)5methylspiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2S3R3aR)1benzoyl2(25dimethoxybenzoyl)5methyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)2((25dimethoxyphenyl)carbonyl)5methyl1(phenylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1177791013
16399220
COc1ccc(c(c1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccccc2)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2cccc1)C)OC
InChI=1SC36H30N2O5c121193036(2614891527(26)3735(36)41)31(34(40)252023(422)171829(25)433)32(33(39)22115461222)38(30)28161071324(21)28h4203032H13H3(H3741)t3031+32+36m1s1
MFCD04142411
ZINC000070680919
ZINC70680919

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Available files

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