Vitas-M small molecule compound
(2R,3R,10bS)-2-(4-methoxyphenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Catalog ID
STK526505
SMILES COc1ccc(cc1)[C@H]1[C@H](C(=O)c2ccccc2)N2[C@H](C1(C#N)C#N)c1ccccc1C=C2
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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 C28H21N3O2 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O2/c1-33-22-13-11-20(12-14-22)24-25(26(32)21-8-3-2-4-9-21)31-16-15-19-7-5-6-10-23(19)27(31)28(24,17-29)18-30/h2-16,24-25,27H,1H3/t24-,25+,27-/m0/s1InChIKey
UFDWOEGWKFJWOX-WEWMWRJBSA-NSynonyms
302558-41-4(2R3R10bS)2(4methoxyphenyl)3(phenylcarbonyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)3benzoyl2(4methoxyphenyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)3benzoyl2(4methoxyphenyl)310bdihydro2Hpyrrolo(21a)isoquinoline11dicarbonitrile
302558414
COC1=CC=C(C=C1)C2C(N3C=CC4=CC=CC=C4C3C2(C#N)C#N)C(=O)C5=CC=CC=C5
COc1ccc(cc1)(C@H)1(C@H)(C(=O)c2ccccc2)N2(C@H)(C1(C#N)C#N)c1ccccc1C=C2
InChI=1SC28H21N3O2c13322131120(121422)2425(26(32)218324921)311615197561023(19)27(31)28(241729)1830h216242527H1H3t2425+27m0s1
ZINC000013510873
ZINC13510873
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