Vitas-M small molecule compound
(2'S,3S,3'S,10b'R)-3'-[(3-bromo-4-methoxyphenyl)carbonyl]-2'-[(4-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Catalog ID
STL527681
SMILES COc1ccc(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 C35H27BrN2O5 MW 635.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27BrN2O5/c1-42-23-14-11-21(12-15-23)31(39)29-30(32(40)22-13-16-28(43-2)26(36)19-22)38-18-17-20-7-3-4-8-24(20)33(38)35(29)25-9-5-6-10-27(25)37-34(35)41/h3-19,29-30,33H,1-2H3,(H,37,41)/t29-,30-,33+,35+/m0/s1InChIKey
PBIYYDBALCBOSS-CXNUKBDRSA-NSynonyms
1177574-60-5(1S2S3S10bR)3(3bromo4methoxybenzoyl)2(4methoxybenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2~(S)3~(S)3~(S)10~(b)~(R))3(3bromo4methoxybenzoyl)2(4methoxybenzoyl)spiro(1~(H)indole31310~(b)dihydro2~(H)pyrrolo(21a)isoquinoline)2one
(2S3S3S10bR)3((3bromo4methoxyphenyl)carbonyl)2((4methoxyphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
1177574605
16397938
COc1ccc(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=1SC35H27BrN2O5c14223141121(121523)31(39)2930(32(40)22131628(432)26(36)1922)38181720734824(20)33(38)35(29)259561027(25)3734(35)41h319293033H12H3(H3741)t293033+35+m0s1
MFCD03659868
ZINC000079210099
ZINC79210099
Check stock
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Check stock on Vitas-MAvailable files
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