Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(4-fluorophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK544352
SMILES Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[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 C27H18FN5O3 MW 479.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18FN5O3/c28-16-10-12-17(13-11-16)31-25(34)22-21-14-9-15-5-1-3-7-19(15)32(21)24(23(22)26(31)35)27(36)33-20-8-4-2-6-18(20)29-30-33/h1-14,21-24H/t21-,22-,23-,24+/m0/s1InChIKey
BRBRZCNNNUKVTD-NEWJYFPISA-NSynonyms
1014080-82-0(6aS6bR9aS10R)10(1Hbenzo(d)(123)triazole1carbonyl)8(4fluorophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)10(1Hbenzotriazol1ylcarbonyl)8(4fluorophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
1014080820
C1=CC=C2C(=C1)C=CC3N2C(C4C3C(=O)N(C4=O)C5=CC=C(C=C5)F)C(=O)N6C7=CC=CC=C7N=N6
Fc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2
InChI=1SC27H18FN5O3c2816101217(131116)3125(34)222114915513719(15)32(21)24(23(22)26(31)35)27(36)3320842618(20)293033h1142124Ht21222324+m0s1
MFCD18242143
ZINC000017967458
ZINC17967458
Check stock
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Check stock on Vitas-MAvailable files
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