Vitas-M small molecule compound

(8S,8aR,11aS)-8-[(4-chlorophenyl)carbonyl]-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STK545099
SMILES Clc1ccc(cc1)C(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc2c(c1)OCCO2

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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 C29H21ClN2O5 MW 512.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O5/c30-18-7-5-17(6-8-18)27(33)26-24-23(25-20-4-2-1-3-16(20)11-12-31(25)26)28(34)32(29(24)35)19-9-10-21-22(15-19)37-14-13-36-21/h1-12,15,23-26H,13-14H2/t23-,24+,25?,26-/m0/s1
InChIKey
ZNHGSEXMEIYKNJ-HLMSNRGBSA-N
Synonyms
956989-11-0
(8S8aR11aS)8((4chlorophenyl)carbonyl)10(23dihydro14benzodioxin6yl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8(4chlorobenzoyl)10(23dihydrobenzo(b)(14)dioxin6yl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
956989110
C1COC2=C(O1)C=CC(=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)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1ccc2c(c1)OCCO2
InChI=1SC29H21ClN2O5c30187517(6818)27(33)262423(2520421316(20)111231(25)26)28(34)32(29(24)35)199102122(1519)3714133621h112152326H1314H2t2324+25?26m0s1
MFCD18242195
ZINC000016037146
ZINC000043710828

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Available files

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