Vitas-M small molecule compound
10-[(4-bromophenyl)carbonyl]-2-chloro-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STL411281
SMILES Brc1ccc(cc1)C(=O)C1C2C(C3N1c1cc(Cl)ccc1C=C3)C(=O)N(C2=O)c1ccc2c(c1)OCCO2
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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 C29H20BrClN2O5 MW 591.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20BrClN2O5/c30-17-5-1-16(2-6-17)27(34)26-25-24(20-9-4-15-3-7-18(31)13-21(15)33(20)26)28(35)32(29(25)36)19-8-10-22-23(14-19)38-12-11-37-22/h1-10,13-14,20,24-26H,11-12H2InChIKey
UJUYGFCYEMBWBD-UHFFFAOYSA-NSynonyms
(6aR6bS9aR10S)10(4bromobenzoyl)2chloro8(23dihydrobenzo(b)(14)dioxin6yl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
10((4bromophenyl)carbonyl)2chloro8(23dihydro14benzodioxin6yl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
Brc1ccc(cc1)C(=O)(C@@H)1(C@H)2(C@@H)((C@@H)3N1c1cc(Cl)ccc1C=C3)C(=O)N(C2=O)c1ccc2c(c1)OCCO2
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C5C=CC6=C(N5C(C4C3=O)C(=O)C7=CC=C(C=C7)Br)C=C(C=C6)Cl
InChI=1SC29H20BrClN2O5c30175116(2617)27(34)262524(2094153718(31)1321(15)33(20)26)28(35)32(29(25)36)198102223(1419)3812113722h1101314202426H1112H2
MFCD04073217
ZINC000101064434
ZINC000247953048
Check stock
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Check stock on Vitas-MAvailable files
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