Vitas-M small molecule compound
(8S,8aR,11aS,11bS)-10-(4-methoxyphenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STK558239
SMILES COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)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 C28H23N3O4 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O4/c1-35-20-13-11-19(12-14-20)31-27(33)22-23(28(31)34)25(26(32)29-18-8-3-2-4-9-18)30-16-15-17-7-5-6-10-21(17)24(22)30/h2-16,22-25H,1H3,(H,29,32)/t22-,23+,24+,25-/m0/s1InChIKey
BBCDVTQRQLUUFI-LIONHTAISA-NSynonyms
958950-95-3(8S8aR11aS11bS)10(4methoxyphenyl)911dioxoNphenyl8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
958950953
COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC=CC=C6
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)Nc2ccccc2)C=Cc2c1cccc2
InChI=1SC28H23N3O4c13520131119(121420)3127(33)2223(28(31)34)25(26(32)29188324918)301615177561021(17)24(22)30h2162225H1H3(H2932)t2223+24+25m0s1
MFCD18243071
ZINC000095483657
ZINC95483657
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