Vitas-M small molecule compound

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

Catalog ID
STL052474
SMILES O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)Cc1ccc2c(c1)OCO2)c1ccc(cc1)[N+](=O)[O-]

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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 C29H21N3O7 MW 523.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O7/c33-27(18-6-8-19(9-7-18)32(36)37)26-24-23(25-20-4-2-1-3-17(20)11-12-30(25)26)28(34)31(29(24)35)14-16-5-10-21-22(13-16)39-15-38-21/h1-13,23-26H,14-15H2/t23-,24+,25?,26-/m0/s1
InChIKey
FBISLLCKZFNMJC-HLMSNRGBSA-N
Synonyms
1013869-61-8
(8S8aR11aS)10(13benzodioxol5ylmethyl)8((4nitrophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(benzo(d)(13)dioxol5ylmethyl)8(4nitrobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013869618
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=C5)C(=O)C7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC29H21N3O7c3327(186819(9718)32(36)37)262423(2520421317(20)111230(25)26)28(34)31(29(24)35)14165102122(1316)39153821h1132326H1415H2t2324+25?26m0s1
MFCD18249468
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)Cc1ccc2c(c1)OCO2)c1ccc(cc1)(N+)(=O)(O)
ZINC000101251707
ZINC000101251711

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Available files

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