Vitas-M small molecule compound
4-{[(8R,8aR,11aS,11bS)-10-(1,3-benzodioxol-5-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]carbonyl}phenyl acetate
Catalog ID
STK625037
SMILES CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3
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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 C30H22N2O7 MW 522.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N2O7/c1-16(33)39-20-9-6-18(7-10-20)28(34)27-25-24(26-21-5-3-2-4-17(21)12-13-31(26)27)29(35)32(30(25)36)19-8-11-22-23(14-19)38-15-37-22/h2-14,24-27H,15H2,1H3/t24-,25+,26+,27+/m0/s1InChIKey
LMIRZYCFBUFMOF-FICKONGGSA-NSynonyms
1013982-22-31013982223
4(((8R8aR11aS11bS)10(13benzodioxol5yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin8yl)carbonyl)phenylacetate
4((8R8aR11aS11bS)10(benzo(d)(13)dioxol5yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7
CC(=O)Oc1ccc(cc1)C(=O)(C@@H)1N2C=Cc3c((C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3
InChI=1SC30H22N2O7c116(33)39209618(71020)28(34)272524(2621532417(21)121331(26)27)29(35)32(30(25)36)198112223(1419)38153722h2142427H15H21H3t2425+26+27+m0s1
MFCD18246457
ZINC000101282293
ZINC101282293
Check stock
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Check stock on Vitas-MAvailable files
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