Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-8-(4-acetylphenyl)-10-(1H-benzotriazol-1-ylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK545454
SMILES O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2
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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 C29H21N5O4 MW 503.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O4/c1-16(35)17-10-13-19(14-11-17)32-27(36)24-23-15-12-18-6-2-4-8-21(18)33(23)26(25(24)28(32)37)29(38)34-22-9-5-3-7-20(22)30-31-34/h2-15,23-26H,1H3/t23-,24-,25-,26+/m0/s1InChIKey
XPHRLBUFNSRYCN-ASDGIDEWSA-NSynonyms
956824-99-0(6aS6bR9aS10R)8(4acetylphenyl)10(1Hbenzo(d)(123)triazole1carbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)8(4acetylphenyl)10(1Hbenzotriazol1ylcarbonyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
956824990
CC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)N6C7=CC=CC=C7N=N6
InChI=1SC29H21N5O4c116(35)17101319(141117)3227(36)2423151218624821(18)33(23)26(25(24)28(32)37)29(38)3422953720(22)303134h2152326H1H3t23242526+m0s1
MFCD18242219
O=C1N(c2ccc(cc2)C(=O)C)C(=O)(C@@H)2(C@H)1(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2
ZINC000100869028
ZINC100869028
Check stock
See real-time availability and sample size for STK545454 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.