Vitas-M small molecule compound

(1'R,2'R)-2'-(2,4-dimethoxyphenyl)-1'-{[4-(2-methylpropyl)phenyl]carbonyl}-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

Catalog ID
STL008651
SMILES COc1ccc(c(c1)OC)[C@H]1[C@H](C(=O)c2ccc(cc2)CC(C)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

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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 C39H35NO5 MW 597.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H35NO5/c1-23(2)21-24-13-15-26(16-14-24)36(41)35-34(30-19-18-27(44-3)22-32(30)45-4)39(37(42)28-10-6-7-11-29(28)38(39)43)33-20-17-25-9-5-8-12-31(25)40(33)35/h5-20,22-23,33-35H,21H2,1-4H3/t33?,34-,35+/m0/s1
InChIKey
FEAKJRLNMOIUML-ZYVKZGOESA-N
Synonyms
1246037-84-2
(1R2R)2(24dimethoxyphenyl)1((4(2methylpropyl)phenyl)carbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(24dimethoxyphenyl)1(4(2methylpropyl)benzoyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
(1R2R)2(24dimethoxyphenyl)1(4isobutylbenzoyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
1246037842
CC(C)CC1=CC=C(C=C1)C(=O)C2C(C3(C4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=C(C=C(C=C7)OC)OC
COc1ccc(c(c1)OC)(C@H)1(C@H)(C(=O)c2ccc(cc2)CC(C)C)N2C((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
COc1ccc(c(c1)OC)(C@H)1(C@H)(C(=O)c2ccc(cc2)CC(C)C)N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
InChI=1SC39H35NO5c123(2)2124131526(161424)36(41)3534(30191827(443)2232(30)454)39(37(42)2810671129(28)38(39)43)332017259581231(25)40(33)35h52022233335H21H214H3t33?3435+m0s1
MFCD18185443
ZINC000002596158
ZINC000101669807

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Available files

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