Vitas-M small molecule compound
8-(1,3-benzodioxol-5-ylcarbonyl)-10-cyclohexyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL345188
SMILES O=C(C1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)C1CCCCC1)c1ccc2c(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 C28H26N2O5 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5/c31-26(17-10-11-20-21(14-17)35-15-34-20)25-23-22(24-19-9-5-4-6-16(19)12-13-29(24)25)27(32)30(28(23)33)18-7-2-1-3-8-18/h4-6,9-14,18,22-25H,1-3,7-8,15H2InChIKey
XDTVKLGGNGEFCO-UHFFFAOYSA-NSynonyms
(8S8aR11aS)8(benzo(d)(13)dioxole5carbonyl)10cyclohexyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
8(13benzodioxol5ylcarbonyl)10cyclohexyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
C1CCC(CC1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC7=C(C=C6)OCO7
InChI=1SC28H26N2O5c3126(1710112021(1417)35153420)252322(2419954616(19)121329(24)25)27(32)30(28(23)33)187213818h46914182225H137815H2
MFCD28032169
O=C((C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)C1CCCCC1)c1ccc2c(c1)OCO2
ZINC000015997181
ZINC000245240491
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