Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK543888
SMILES O=C1N(c2ccc3c(c2)OCCO3)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 C29H21N5O5 MW 519.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O5/c35-27-24-21-11-9-16-5-1-3-7-19(16)33(21)26(29(37)34-20-8-4-2-6-18(20)30-31-34)25(24)28(36)32(27)17-10-12-22-23(15-17)39-14-13-38-22/h1-12,15,21,24-26H,13-14H2/t21-,24-,25-,26+/m0/s1InChIKey
LCBFJLLDKQSLQC-CPPMQADQSA-NSynonyms
1014100-94-7(6aS6bR9aS10R)10(1Hbenzo(d)(123)triazole1carbonyl)8(23dihydrobenzo(b)(14)dioxin6yl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)10(1Hbenzotriazol1ylcarbonyl)8(23dihydro14benzodioxin6yl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1014100947
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C5C=CC6=CC=CC=C6N5C(C4C3=O)C(=O)N7C8=CC=CC=C8N=N7
InChI=1SC29H21N5O5c3527242111916513719(16)33(21)26(29(37)3420842618(20)303134)25(24)28(36)32(27)1710122223(1517)3914133822h11215212426H1314H2t21242526+m0s1
MFCD18242111
O=C1N(c2ccc3c(c2)OCCO3)C(=O)(C@@H)2(C@H)1(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2
ZINC000100888178
ZINC100888178
Check stock
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Check stock on Vitas-MAvailable files
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