Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-2'-{[4-(2-methylpropyl)phenyl]carbonyl}-3'-[(3-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK594782
SMILES CC(Cc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)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 C37H31N3O5 MW 597.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31N3O5/c1-22(2)20-23-14-16-25(17-15-23)33(41)31-32(34(42)26-9-7-10-27(21-26)40(44)45)39-19-18-24-8-3-4-11-28(24)35(39)37(31)29-12-5-6-13-30(29)38-36(37)43/h3-19,21-22,31-32,35H,20H2,1-2H3,(H,38,43)/t31-,32-,35+,37+/m0/s1
InChIKey
IUMWQSBZCGWYSD-UMKORLBGSA-N
Synonyms
1212279-63-4
(1S2S3S10bR)2(4isobutylbenzoyl)3(3nitrobenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((4(2methylpropyl)phenyl)carbonyl)3((3nitrophenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(4(2methylpropyl)benzoyl)3(3nitrobenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212279634
CC(C)CC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC(=CC=C7)(N+)(=O)(O)
CC(Cc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2cccc(c2)(N+)(=O)(O))N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C
InChI=1SC37H31N3O5c122(2)2023141625(171523)33(41)3132(34(42)26971027(2126)40(44)45)391918248341128(24)35(39)37(31)2912561330(29)3836(37)43h3192122313235H20H212H3(H3843)t313235+37+m0s1
MFCD18158468
ZINC000101669757
ZINC101669757

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Available files

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