Vitas-M small molecule compound

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

Catalog ID
STK553084
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)c2ccccc2)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 C24H19N3O5 MW 429.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O5/c1-14(28)32-17-11-9-16(10-12-17)26-23(30)19-18-8-5-13-25-27(18)21(20(19)24(26)31)22(29)15-6-3-2-4-7-15/h2-13,18-21H,1H3/t18?,19-,20-,21+/m0/s1
InChIKey
UTYXMQOBMVGVFW-ASJDWODUSA-N
Synonyms
1014081-33-4
(4((3aS4R9bR)4benzoyl13dioxo3a49a9btetrahydropyrrolo(12)pyrrolo(35b)pyridazin2yl)phenyl)acetate
1014081334
4((4bR7aS8R)57dioxo8(phenylcarbonyl)4b57a8tetrahydro4aHpyrrolo(3434)pyrrolo(12b)pyridazin6(7H)yl)phenylacetate
4((4bR7aS8R)8benzoyl57dioxo4b57a8tetrahydro4aHpyrrolo(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
CC(=O)Oc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1N((C@H)2C(=O)c2ccccc2)N=CC=C1
InChI=1SC24H19N3O5c114(28)321711916(101217)2623(30)191885132527(18)21(20(19)24(26)31)22(29)156324715h2131821H1H3t18?192021+m0s1
MFCD18242692
ZINC000017783160
ZINC000018084498

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Available files

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