Vitas-M small molecule compound

2'-(2-bromo-4-methylphenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H,12H-spiro[indolo[2,1-b]quinazoline-6,4'-pyrrolo[3,4-a]pyrrolizine]-1',3',12(2'H)-trione

Catalog ID
STL350365
SMILES Cc1ccc(c(c1)Br)N1C(=O)C2C(C1=O)C1(N3C2CCC3)c2ccccc2n2c1nc1ccccc1c2=O

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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 C30H23BrN4O3 MW 567.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23BrN4O3/c1-16-12-13-22(19(31)15-16)34-27(37)24-23-11-6-14-33(23)30(25(24)28(34)38)18-8-3-5-10-21(18)35-26(36)17-7-2-4-9-20(17)32-29(30)35/h2-5,7-10,12-13,15,23-25H,6,11,14H2,1H3
InChIKey
XGTAZIYDLPBMST-UHFFFAOYSA-N
Synonyms

(3aS8bR)2(2bromo4methylphenyl)6788atetrahydro1H12Hspiro(indolo(21b)quinazoline64pyrrolo(34a)pyrrolizine)1312(2H3aH8bH)trione
2(2bromo4methylphenyl)3a6788a8bhexahydro1H12Hspiro(indolo(21b)quinazoline64pyrrolo(34a)pyrrolizine)1312(2H)trione
2(2bromo4methylphenyl)spiro(3a6788a8bhexahydropyrrolo(34a)pyrrolizine46indolo(21b)quinazoline)1312trione
CC1=CC(=C(C=C1)N2C(=O)C3C4CCCN4C5(C3C2=O)C6=CC=CC=C6N7C5=NC8=CC=CC=C8C7=O)Br
Cc1ccc(c(c1)Br)N1C(=O)(C@@H)2(C@H)(C1=O)C1(N3C2CCC3)c2ccccc2n2c1nc1ccccc1c2=O
InChI=1SC30H23BrN4O3c116121322(19(31)1516)3427(37)24231161433(23)30(25(24)28(34)38)188351021(18)3526(36)17724920(17)3229(30)35h257101213152325H61114H21H3
MFCD28032341
ZINC000101360192
ZINC000245312797

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Available files

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