Vitas-M small molecule compound
4-[(3a'R,6a'S)-4',6',12-trioxo-3'-(propan-2-yl)-2',3',3a',4',6',6a'-hexahydro-5'H,12H-spiro[indolo[2,1-b]quinazoline-6,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]benzoic acid
Catalog ID
STL569931
SMILES CC(C1NC2([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)C(=O)O)c1ccccc1n1c2nc2ccccc2c1=O)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 C30H24N4O5 MW 520.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N4O5/c1-15(2)24-22-23(27(37)33(26(22)36)17-13-11-16(12-14-17)28(38)39)30(32-24)19-8-4-6-10-21(19)34-25(35)18-7-3-5-9-20(18)31-29(30)34/h3-15,22-24,32H,1-2H3,(H,38,39)/t22-,23-,24?,30?/m1/s1InChIKey
HANAGORMTIXFTG-XVOMEUGRSA-NSynonyms
1177781-91-71177781917
17596483
4((3aR6aS)3isopropyl4612trioxo3a466atetrahydro2H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrol)5(3H)yl)benzoicacid
4((3aR6aS)4612trioxo3(propan2yl)233a466ahexahydro5H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrol)5yl)benzoicacid
4((3aS6aR)4612trioxo1propan2ylspiro(123a6atetrahydropyrrolo(34c)pyrrole36indolo(21b)quinazoline)5yl)benzoicacid
CC(C1NC2((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc(cc1)C(=O)O)c1ccccc1n1c2nc2ccccc2c1=O)C
InChI=1SC30H24N4O5c115(2)242223(27(37)33(26(22)36)17131116(121417)28(38)39)30(3224)198461021(19)3425(35)18735920(18)3129(30)34h315222432H12H3(H3839)t222324?30?m1s1
ZINC000101496615
ZINC000101496621
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.