Vitas-M small molecule compound
(1'S,2'S,3R,3a'R)-5',7'-dimethyl-1'-(phenylcarbonyl)-2'-[(3,4,5-trimethoxyphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STL528515
SMILES COc1c(OC)cc(cc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=C(c1c2ccc(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 C38H34N2O6 MW 614.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N2O6/c1-21-15-16-28-25(17-21)22(2)18-31-38(26-13-9-10-14-27(26)39-37(38)43)32(33(40(28)31)35(42)23-11-7-6-8-12-23)34(41)24-19-29(44-3)36(46-5)30(20-24)45-4/h6-20,31-33H,1-5H3,(H,39,43)/t31-,32+,33+,38-/m1/s1InChIKey
MQFQLGBFYQPCTR-NDTOYMFRSA-NSynonyms
1177968-14-7(1~(S)2~(S)3~(R)3~(a)~(R))1benzoyl57dimethyl2(345trimethoxybenzoyl)spiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2S3R3aR)1benzoyl57dimethyl2(345trimethoxybenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)57dimethyl1(phenylcarbonyl)2((345trimethoxyphenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1177968147
16404498
COc1c(OC)cc(cc1OC)C(=O)(C@@H)1(C@@H)(C(=O)c2ccccc2)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C
InChI=1SC38H34N2O6c12115162825(1721)22(2)183138(26139101427(26)3937(38)43)32(33(40(28)31)35(42)23117681223)34(41)241929(443)36(465)30(2024)454h6203133H15H3(H3943)t3132+33+38m1s1
MFCD04080848
ZINC000070700685
ZINC70700685
Check stock
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Check stock on Vitas-MAvailable files
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