Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-2'-[(3-methoxyphenyl)carbonyl]-1'-[(4-methoxyphenyl)carbonyl]-5'-methyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STL537219
SMILES COc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C(=C[C@@H]2[C@]2([C@@H]1C(=O)c1cccc(c1)OC)C(=O)Nc1c2cccc1)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 C36H30N2O5 MW 570.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O5/c1-21-19-30-36(27-12-5-6-13-28(27)37-35(36)41)31(33(39)23-9-8-10-25(20-23)43-3)32(38(30)29-14-7-4-11-26(21)29)34(40)22-15-17-24(42-2)18-16-22/h4-20,30-32H,1-3H3,(H,37,41)/t30-,31+,32+,36-/m1/s1
InChIKey
PPUSSIGHBALZGZ-RCFASBGUSA-N
Synonyms
1177774-77-4
(1~(S)2~(S)3~(R)3~(a)~(R))2(3methoxybenzoyl)1(4methoxybenzoyl)5methylspiro(1~(H)indole3323~(a)dihydro1~(H)pyrrolo(12a)quinoline)2one
(1S2S3R3aR)2((3methoxyphenyl)carbonyl)1((4methoxyphenyl)carbonyl)5methyl12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)2(3methoxybenzoyl)1(4methoxybenzoyl)5methyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177774774
16399289
COc1ccc(cc1)C(=O)(C@H)1N2c3ccccc3C(=C(C@@H)2(C@)2((C@@H)1C(=O)c1cccc(c1)OC)C(=O)Nc1c2cccc1)C
InChI=1SC36H30N2O5c121193036(2712561328(27)3735(36)41)31(33(39)23981025(2023)433)32(38(30)2914741126(21)29)34(40)22151724(422)181622h4203032H13H3(H3741)t3031+32+36m1s1
MFCD04142747
ZINC000070681013
ZINC70681013

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Available files

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