Vitas-M small molecule compound

(2R,3R,10bS)-8-methoxy-2-[4-(methylsulfanyl)phenyl]-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile

Catalog ID
STL170572
SMILES COc1ccc2c(c1)C=CN1[C@@H]2C(C#N)(C#N)[C@H]([C@@H]1C(=O)c1ccccc1)c1ccc(cc1)SC

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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 C29H23N3O2S MW 477.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O2S/c1-34-22-10-13-24-21(16-22)14-15-32-26(27(33)20-6-4-3-5-7-20)25(29(17-30,18-31)28(24)32)19-8-11-23(35-2)12-9-19/h3-16,25-26,28H,1-2H3/t25-,26+,28-/m0/s1
InChIKey
VEDLPEFOHVTTIE-REUBFRLUSA-N
Synonyms
1212069-31-2
(2R3R10bS)3benzoyl8methoxy2(4methylsulfanylphenyl)310bdihydro2Hpyrrolo(21a)isoquinoline11dicarbonitrile
(2R3R10bS)8methoxy2(4(methylsulfanyl)phenyl)3(phenylcarbonyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
1212069312
COC1=CC2=C(C=C1)C3C(C(C(N3C=C2)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)SC)(C#N)C#N
COc1ccc2c(c1)C=CN1(C@@H)2C(C#N)(C#N)(C@H)((C@@H)1C(=O)c1ccccc1)c1ccc(cc1)SC
InChI=1SC29H23N3O2Sc1342210132421(1622)14153226(27(33)206435720)25(29(17301831)28(24)32)1981123(352)12919h316252628H12H3t2526+28m0s1
MFCD01935810
ZINC000013881987
ZINC13881987

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Available files

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