Vitas-M small molecule compound
(1'R,2'R)-2'-(2,5-dimethoxyphenyl)-8'-methyl-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Catalog ID
STL537089
SMILES COc1ccc(c(c1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cc(C)cc1)OC
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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 C36H29NO5 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29NO5/c1-21-13-14-22-15-18-30-36(34(39)25-11-7-8-12-26(25)35(36)40)31(27-20-24(41-2)16-17-29(27)42-3)32(37(30)28(22)19-21)33(38)23-9-5-4-6-10-23/h4-20,30-32H,1-3H3/t30?,31-,32+/m0/s1InChIKey
IPEGLIQXORRPHH-XXWVNBFBSA-NSynonyms
1216947-86-2(1~(R)2~(R))1benzoyl2(25dimethoxyphenyl)8methylspiro(23~(a)dihydro1~(H)pyrrolo(12a)quinoline32indene)13dione
(1R2R)1benzoyl2(25dimethoxyphenyl)8methyl23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(25dimethoxyphenyl)8methyl1(phenylcarbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
1216947862
16400251
COc1ccc(c(c1)(C@H)1(C@H)(C(=O)c2ccccc2)N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cc(C)cc1)OC
InChI=1SC36H29NO5c12113142215183036(34(39)2511781226(25)35(36)40)31(272024(412)161729(27)423)32(37(30)28(22)1921)33(38)2395461023h4203032H13H3t30?3132+m0s1
MFCD05671105
ZINC000070687227
ZINC000070687230
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