Vitas-M small molecule compound
(1'S,2'R,3R,3a'S)-1'-acetyl-7'-methoxy-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
STL527343
SMILES COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C)[C@@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)CC(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 C33H32N2O4 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O4/c1-19(2)17-21-9-11-22(12-10-21)31(37)29-30(20(3)36)35-27-15-14-24(39-4)18-23(27)13-16-28(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+/m0/s1InChIKey
MTWOILHVMYQEOR-CFNUTJGKSA-NSynonyms
1177811-21-0(1~(S)2~(R)3~(R)3~(a)~(S))1acetyl7methoxy2(4(2methylpropyl)benzoyl)spiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2R3R3aS)1acetyl2(4isobutylbenzoyl)7methoxy23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2R3R3aS)1acetyl7methoxy2((4(2methylpropyl)phenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1177811210
16397692
COc1ccc2c(c1)C=C(C@@H)1N2(C@H)(C(=O)C)(C@@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)CC(C)C
InChI=1SC33H32N2O4c119(2)172191122(121021)31(37)2930(20(3)36)3527151424(394)1823(27)131628(35)33(29)25756826(25)3432(33)38h51618192830H17H214H3(H3438)t2829+30+33+m0s1
MFCD03266777
ZINC000070672465
ZINC70672465
Check stock
See real-time availability and sample size for STL527343 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.