Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-1'-acetyl-7'-methyl-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STL531176
SMILES CC(Cc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)C)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C)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 C33H32N2O3 MW 504.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O3/c1-19(2)17-22-10-12-23(13-11-22)31(37)29-30(21(4)36)35-27-15-9-20(3)18-24(27)14-16-28(35)33(29)25-7-5-6-8-26(25)34-32(33)38/h5-16,18-19,28-30H,17H2,1-4H3,(H,34,38)/t28-,29+,30-,33-/m1/s1
InChIKey
OJLMKJSKBFILEK-NDQSGYKOSA-N
Synonyms
1177794-62-5
(1~(S)2~(S)3~(R)3~(a)~(R))1acetyl7methyl2(4(2methylpropyl)benzoyl)spiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2S3R3aR)1acetyl2(4isobutylbenzoyl)7methyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)1acetyl7methyl2((4(2methylpropyl)phenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1177794625
16399735
CC(Cc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)C)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)C)C
InChI=1SC33H32N2O3c119(2)1722101223(131122)31(37)2930(21(4)36)352715920(3)1824(27)141628(35)33(29)25756826(25)3432(33)38h51618192830H17H214H3(H3438)t2829+3033m1s1
MFCD04145344
ZINC000070686749
ZINC70686749

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.