Vitas-M small molecule compound
4-[9,11-dioxo-8-(thiophen-2-ylcarbonyl)-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]phenyl acetate
Catalog ID
STL347407
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C(N1C2c2ccccc2C=C1)C(=O)c1cccs1
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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 C27H20N2O5S MW 484.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O5S/c1-15(30)34-18-10-8-17(9-11-18)29-26(32)21-22(27(29)33)24(25(31)20-7-4-14-35-20)28-13-12-16-5-2-3-6-19(16)23(21)28/h2-14,21-24H,1H3InChIKey
QPQFCBGRFQUYRQ-UHFFFAOYSA-NSynonyms
4((8S8aR11aS)911dioxo8(thiophene2carbonyl)8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)phenylacetate
4(911dioxo8(thiophen2ylcarbonyl)8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CS6
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1C2c2ccccc2C=C1)C(=O)c1cccs1
InChI=1SC27H20N2O5Sc115(30)341810817(91118)2926(32)2122(27(29)33)24(25(31)2074143520)28131216523619(16)23(21)28h2142124H1H3
MFCD07208659
ZINC000016000715
ZINC000245311911
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