Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-7'-chloro-1'-(2,2-dimethylpropanoyl)-5'-methyl-2'-[(4-pentylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STK565144
SMILES CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)Cl)C)C(=O)C(C)(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 C37H39ClN2O3 MW 595.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39ClN2O3/c1-6-7-8-11-23-14-16-24(17-15-23)33(41)31-32(34(42)36(3,4)5)40-29-19-18-25(38)21-26(29)22(2)20-30(40)37(31)27-12-9-10-13-28(27)39-35(37)43/h9-10,12-21,30-32H,6-8,11H2,1-5H3,(H,39,43)/t30-,31+,32+,37-/m1/s1
InChIKey
IQWINAQGSMNSRK-IJIJIXBQSA-N
Synonyms
1212169-11-3
(1S2S3R3aR)7chloro1(22dimethylpropanoyl)5methyl2((4pentylphenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)7chloro1(22dimethylpropanoyl)5methyl2(4pentylbenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)7chloro5methyl2(4pentylbenzoyl)1pivaloyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1212169113
CCCCCC1=CC=C(C=C1)C(=O)C2C(N3C(C24C5=CC=CC=C5NC4=O)C=C(C6=C3C=CC(=C6)Cl)C)C(=O)C(C)(C)C
CCCCCc1ccc(cc1)C(=O)(C@@H)1(C@H)(N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)Cl)C)C(=O)C(C)(C)C
InChI=1SC37H39ClN2O3c16781123141624(171523)33(41)3132(34(42)36(34)5)4029191825(38)2126(29)22(2)2030(40)37(31)27129101328(27)3935(37)43h91012213032H6811H215H3(H3943)t3031+32+37m1s1
MFCD18244698
ZINC000101672219
ZINC101672219

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Available files

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