Vitas-M small molecule compound
4-{[(4aS,4bR,7aS,8R)-6-(2-methoxy-5-nitrophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenyl acetate
Catalog ID
STK555014
SMILES COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1)[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 C25H20N4O8 MW 504.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O8/c1-13(30)37-16-8-5-14(6-9-16)23(31)22-21-20(17-4-3-11-26-28(17)22)24(32)27(25(21)33)18-12-15(29(34)35)7-10-19(18)36-2/h3-12,17,20-22H,1-2H3/t17-,20-,21-,22+/m0/s1InChIKey
BYMJNWYQNWZOLI-AGOPTVSRSA-NSynonyms
1014062-15-7(4((3aS4R9aS9bR)2(2methoxy5nitrophenyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazine4carbonyl)phenyl)acetate
1014062157
4(((4aS4bR7aS8R)6(2methoxy5nitrophenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin8yl)carbonyl)phenylacetate
4((4aS4bR7aS8R)6(2methoxy5nitrophenyl)57dioxo4b5677a8hexahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazine8carbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=C(C=CC(=C5)(N+)(=O)(O))OC
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1N((C@H)2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1)(N+)(=O)(O)
InChI=1SC25H20N4O8c113(30)37168514(6916)23(31)222120(1743112628(17)22)24(32)27(25(21)33)181215(29(34)35)71019(18)362h312172022H12H3t17202122+m0s1
MFCD18242836
ZINC000101033466
ZINC101033466
Check stock
See real-time availability and sample size for STK555014 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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