Vitas-M small molecule compound
(1'S,2'R,3R,3a'S)-2'-[(4-bromophenyl)carbonyl]-1'-[(3,4,5-trimethoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL537354
SMILES COc1c(OC)cc(cc1OC)C(=O)[C@H]1N2c3ccccc3C=C[C@H]2[C@]2([C@H]1C(=O)c1ccc(cc1)Br)C(=O)Nc1c2cccc1
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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 C36H29BrN2O6 MW 665.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29BrN2O6/c1-43-27-18-22(19-28(44-2)34(27)45-3)33(41)31-30(32(40)21-12-15-23(37)16-13-21)36(24-9-5-6-10-25(24)38-35(36)42)29-17-14-20-8-4-7-11-26(20)39(29)31/h4-19,29-31H,1-3H3,(H,38,42)/t29-,30+,31-,36+/m0/s1InChIKey
KJSGXUMQDHITKX-GHFJTSGJSA-NSynonyms
1177578-54-9(1~(S)2~(R)3~(R)3~(a)~(S))2(4bromobenzoyl)1(345trimethoxybenzoyl)spiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2R3R3aS)2((4bromophenyl)carbonyl)1((345trimethoxyphenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2R3R3aS)2(4bromobenzoyl)1(345trimethoxybenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177578549
16402884
COc1c(OC)cc(cc1OC)C(=O)(C@H)1N2c3ccccc3C=C(C@H)2(C@)2((C@H)1C(=O)c1ccc(cc1)Br)C(=O)Nc1c2cccc1
InChI=1SC36H29BrN2O6c143271822(1928(442)34(27)453)33(41)3130(32(40)21121523(37)161321)36(249561025(24)3835(36)42)291714208471126(20)39(29)31h4192931H13H3(H3842)t2930+3136+m0s1
MFCD03659806
ZINC000079221016
ZINC79221016
Check stock
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Check stock on Vitas-MAvailable files
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