Vitas-M small molecule compound
(2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-[(4-pentylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Catalog ID
STL527610
SMILES CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(c(c2)Br)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2
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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 C39H35BrN2O4 MW 675.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H35BrN2O4/c1-3-4-5-10-24-15-17-26(18-16-24)35(43)33-34(36(44)27-19-20-32(46-2)30(40)23-27)42-22-21-25-11-6-7-12-28(25)37(42)39(33)29-13-8-9-14-31(29)41-38(39)45/h6-9,11-23,33-34,37H,3-5,10H2,1-2H3,(H,41,45)/t33-,34-,37+,39+/m0/s1InChIKey
HKRWIOYEVYUYMU-LTBWJRBPSA-NSynonyms
1177830-60-2(1S2S3S10bR)3(3bromo4methoxybenzoyl)2(4pentylbenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2~(S)3~(S)3~(S)10~(b)~(R))3(3bromo4methoxybenzoyl)2(4pentylbenzoyl)spiro(1~(H)indole31310~(b)dihydro2~(H)pyrrolo(21a)isoquinoline)2one
(2S3S3S10bR)3((3bromo4methoxyphenyl)carbonyl)2((4pentylphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
1177830602
16398130
CCCCCc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(c(c2)Br)OC)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC39H35BrN2O4c13451024151726(181624)35(43)3334(36(44)27192032(462)30(40)2327)4222212511671228(25)37(42)39(33)2913891431(29)4138(39)45h691123333437H3510H212H3(H4145)t333437+39+m0s1
MFCD03660474
ZINC000079210139
ZINC79210139
Check stock
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Check stock on Vitas-MAvailable files
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