Vitas-M small molecule compound
4-[(6aR,6bS,9aR,10S)-10-[(4-nitrophenyl)carbamoyl]-7,9-dioxo-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl]phenyl acetate
Catalog ID
STK552274
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
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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 C29H22N4O7 MW 538.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O7/c1-16(34)40-21-13-11-19(12-14-21)31-28(36)24-23-15-6-17-4-2-3-5-22(17)32(23)26(25(24)29(31)37)27(35)30-18-7-9-20(10-8-18)33(38)39/h2-15,23-26H,1H3,(H,30,35)/t23-,24-,25-,26+/m1/s1InChIKey
WXKOUNVIDBHIPP-POTDNYQPSA-NSynonyms
1014081-95-81014081958
4((6aR6bS9aR10S)10((4nitrophenyl)carbamoyl)79dioxo6b79a10tetrahydro6aHpyrrolo(3434)pyrrolo(12a)quinolin8(9H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)NC6=CC=C(C=C6)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC29H22N4O7c116(34)4021131119(121421)3128(36)242315617423522(17)32(23)26(25(24)29(31)37)27(35)30187920(10818)33(38)39h2152326H1H3(H3035)t23242526+m1s1
MFCD18242635
ZINC000100958074
ZINC100958074
Check stock
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Check stock on Vitas-MAvailable files
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