Vitas-M small molecule compound
(8R,8aS,11aR,11bR)-8-[(4-fluorophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK685306
SMILES O=C1NC(=O)[C@@H]2[C@H]1[C@H](C(=O)c1ccc(cc1)F)N1[C@H]2c2ccccc2C=C1
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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 C21H15FN2O3 MW 362.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15FN2O3/c22-13-7-5-12(6-8-13)19(25)18-16-15(20(26)23-21(16)27)17-14-4-2-1-3-11(14)9-10-24(17)18/h1-10,15-18H,(H,23,26,27)/t15-,16+,17+,18-/m1/s1InChIKey
UCCBQWOMWSCBCI-VSZNYVQBSA-NSynonyms
(7AS8R4BR4CR)8((4FLUOROPHENYL)CARBONYL)84B4C7ATETRAHYDRO6HAZOLIDINO(34A)BENZO(G)INDOLIZINE57DIONE
(8R8aS11aR11bR)8((4fluorophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)C5=CC=C(C=C5)F)C(=O)NC4=O
InChI=1SC21H15FN2O3c22137512(6813)19(25)181615(20(26)2321(16)27)1714421311(14)91024(17)18h1101518H(H232627)t1516+17+18m1s1
MFCD18246924
O=C1NC(=O)(C@@H)2(C@H)1(C@H)(C(=O)c1ccc(cc1)F)N1(C@H)2c2ccccc2C=C1
ZINC000004698648
ZINC4698648
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