Vitas-M small molecule compound

(8S,8aR,11aS)-10-(1,3-benzodioxol-5-yl)-8-[(4-chlorophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STK545790
SMILES Clc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c(C2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3

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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 C28H19ClN2O5 MW 498.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19ClN2O5/c29-17-7-5-16(6-8-17)26(32)25-23-22(24-19-4-2-1-3-15(19)11-12-30(24)25)27(33)31(28(23)34)18-9-10-20-21(13-18)36-14-35-20/h1-13,22-25H,14H2/t22-,23+,24?,25-/m0/s1
InChIKey
WIAGZTAGFVNHLA-NPZNXQLHSA-N
Synonyms
1014102-73-8
(8S8aR11aS)10(13benzodioxol5yl)8((4chlorophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(benzo(d)(13)dioxol5yl)8(4chlorobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1014102738
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=C5)C(=O)C7=CC=C(C=C7)Cl
Clc1ccc(cc1)C(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3
InChI=1SC28H19ClN2O5c29177516(6817)26(32)252322(2419421315(19)111230(24)25)27(33)31(28(23)34)189102021(1318)36143520h1132225H14H2t2223+24?25m0s1
MFCD18242241
ZINC000016037928
ZINC000043716832

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Available files

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