Vitas-M small molecule compound
(8S,8aR,11aS)-10-(4-methoxybenzyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK582045
SMILES COc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=C1)C(=O)c1ccccc1
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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 C29H24N2O4 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O4/c1-35-21-13-11-18(12-14-21)17-31-28(33)23-24(29(31)34)26(27(32)20-8-3-2-4-9-20)30-16-15-19-7-5-6-10-22(19)25(23)30/h2-16,23-26H,17H2,1H3/t23-,24+,25?,26-/m0/s1InChIKey
VTNJXFGOJXUSFF-HLMSNRGBSA-NSynonyms
1014023-78-9(8S8aR11aS)10(4methoxybenzyl)8(phenylcarbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)8benzoyl10(4methoxybenzyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1014023789
COC1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6
COc1ccc(cc1)CN1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=C1)C(=O)c1ccccc1
InChI=1SC29H24N2O4c13521131118(121421)173128(33)2324(29(31)34)26(27(32)208324920)301615197561022(19)25(23)30h2162326H17H21H3t2324+25?26m0s1
MFCD18245684
ZINC000015990239
ZINC000035830078
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