Vitas-M small molecule compound
(8S,8aR,11aS)-N-(4-chloro-3-nitrophenyl)-10-(4-fluorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STL051570
SMILES Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)C=Cc2c1cccc2
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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 C27H18ClFN4O5 MW 532.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18ClFN4O5/c28-19-10-7-16(13-20(19)33(37)38)30-25(34)24-22-21(23-18-4-2-1-3-14(18)11-12-31(23)24)26(35)32(27(22)36)17-8-5-15(29)6-9-17/h1-13,21-24H,(H,30,34)/t21-,22+,23?,24-/m0/s1InChIKey
KCIYEHVENDTMCT-UZLDWMDBSA-NSynonyms
1013885-52-3(8S8aR11aS)N(4chloro3nitrophenyl)10(4fluorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1013885523
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)NC5=CC(=C(C=C5)Cl)(N+)(=O)(O))C(=O)N(C4=O)C6=CC=C(C=C6)F
Fc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)Nc2ccc(c(c2)(N+)(=O)(O))Cl)C=Cc2c1cccc2
InChI=1SC27H18ClFN4O5c281910716(1320(19)33(37)38)3025(34)242221(2318421314(18)111231(23)24)26(35)32(27(22)36)178515(29)6917h1132124H(H3034)t2122+23?24m0s1
MFCD18249411
ZINC000101175383
ZINC000101175390
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