Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide

Catalog ID
STL348192
SMILES O=C(C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3)Nc1ccc2c(c1)OCO2

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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 C30H23N3O7 MW 537.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N3O7/c34-28(31-17-5-7-21-22(13-17)40-15-39-21)27-25-24(26-19-4-2-1-3-16(19)9-10-32(26)27)29(35)33(30(25)36)18-6-8-20-23(14-18)38-12-11-37-20/h1-10,13-14,24-27H,11-12,15H2,(H,31,34)
InChIKey
NNAMYKHIRRRNHR-UHFFFAOYSA-N
Synonyms

(8S8aR11aS)N(benzo(d)(13)dioxol5yl)10(23dihydrobenzo(b)(14)dioxin6yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=C5)C(=O)NC7=CC8=C(C=C7)OCO8
InChI=1SC30H23N3O7c3428(3117572122(1317)40153921)272524(2619421316(19)91032(26)27)29(35)33(30(25)36)18682023(1418)3812113720h11013142427H111215H2(H3134)
MFCD28032557
N(13benzodioxol5yl)10(23dihydro14benzodioxin6yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
O=C((C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3)Nc1ccc2c(c1)OCO2
ZINC000101208039
ZINC000245240212

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Available files

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