Vitas-M small molecule compound

4-[(4aS,4bR,7aS,8R)-8-[(3-nitrophenyl)carbonyl]-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]phenyl acetate

Catalog ID
STK550341
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2cccc(c2)[N+](=O)[O-])N=CC=C1

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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 C24H18N4O7 MW 474.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O7/c1-13(29)35-17-9-7-15(8-10-17)26-23(31)19-18-6-3-11-25-27(18)21(20(19)24(26)32)22(30)14-4-2-5-16(12-14)28(33)34/h2-12,18-21H,1H3/t18-,19-,20-,21+/m0/s1
InChIKey
VKQYRBOXMWISRT-XSDIEEQYSA-N
Synonyms
1013749-84-2
(4((3aS4R9aS9bR)4(3nitrobenzoyl)13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazin2yl)phenyl)acetate
1013749842
4((4aS4bR7aS8R)8((3nitrophenyl)carbonyl)57dioxo4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)phenylacetate
4((4aS4bR7aS8R)8(3nitrobenzoyl)57dioxo4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC(=CC=C5)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1N((C@H)2C(=O)c2cccc(c2)(N+)(=O)(O))N=CC=C1
InChI=1SC24H18N4O7c113(29)35179715(81017)2623(31)191863112527(18)21(20(19)24(26)32)22(30)1442516(1214)28(33)34h2121821H1H3t18192021+m0s1
MFCD18242513
ZINC000018059123
ZINC18059123

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Available files

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