Vitas-M small molecule compound
ethyl 4-[(3a'R,6a'S)-3'-(2-methylpropyl)-4',6',12-trioxo-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]benzoate
Catalog ID
STL565956
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(NC2CC(C)C)c2nc3ccccc3c(=O)n2c2c1cccc2
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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 C33H30N4O5 MW 562.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N4O5/c1-4-42-31(41)19-13-15-20(16-14-19)36-29(39)26-24(17-18(2)3)35-33(27(26)30(36)40)22-10-6-8-12-25(22)37-28(38)21-9-5-7-11-23(21)34-32(33)37/h5-16,18,24,26-27,35H,4,17H2,1-3H3/t24?,26-,27+,33?/m0/s1InChIKey
YTXRGEUFEWAHGI-DCNQYSETSA-NSynonyms
1177883-32-71177883327
17571989
CCOC(=O)c1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1(NC2CC(C)C)c2nc3ccccc3c(=O)n2c2c1cccc2
ethyl4((3aR6aS)3(2methylpropyl)4612trioxo233a466ahexahydro5H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrol)5yl)benzoate
ethyl4((3aR6aS)3isobutyl4612trioxo3a466atetrahydro2H12Hspiro(indolo(21b)quinazoline61pyrrolo(34c)pyrrol)5(3H)yl)benzoate
ethyl4((3aS6aR)1(2methylpropyl)4612trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole36indolo(21b)quinazoline)5yl)benzoate
InChI=1SC33H30N4O5c144231(41)19131520(161419)3629(39)2624(1718(2)3)3533(27(26)30(36)40)2210681225(22)3728(38)219571123(21)3432(33)37h5161824262735H417H213H3t24?2627+33?m0s1
ZINC000070712229
ZINC000070712235
Check stock
See real-time availability and sample size for STL565956 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.