Vitas-M small molecule compound
(8S,8aR,11aS)-N-(2-chloro-5-nitrophenyl)-10-(4-chlorophenyl)-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
STL054888
SMILES Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2cc(ccc2Cl)[N+](=O)[O-])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 C27H18Cl2N4O5 MW 549.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18Cl2N4O5/c28-15-5-7-16(8-6-15)32-26(35)21-22(27(32)36)24(31-12-11-14-3-1-2-4-18(14)23(21)31)25(34)30-20-13-17(33(37)38)9-10-19(20)29/h1-13,21-24H,(H,30,34)/t21-,22+,23?,24-/m0/s1InChIKey
FNXRVTBRAAEYRE-UZLDWMDBSA-NSynonyms
1013853-10-5(8S8aR11aS)N(2chloro5nitrophenyl)10(4chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1013853105
C1=CC=C2C3C4C(C(N3C=CC2=C1)C(=O)NC5=C(C=CC(=C5)(N+)(=O)(O))Cl)C(=O)N(C4=O)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)Nc2cc(ccc2Cl)(N+)(=O)(O))C=Cc2c1cccc2
InChI=1SC27H18Cl2N4O5c28155716(8615)3226(35)2122(27(32)36)24(31121114312418(14)23(21)31)25(34)30201317(33(37)38)91019(20)29h1132124H(H3034)t2122+23?24m0s1
MFCD18249637
ZINC000101165848
ZINC000101165849
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