Vitas-M small molecule compound

(2Z)-4-[3-(4-methyl-1,3-thiazol-2-yl)-2,5-dioxo-1,2-dihydropyrrolo[1,2-a]quinazolin-4(5H)-yl]-2-(4-methyl-1,3-thiazol-2(3H)-ylidene)-3-oxobutanenitrile

Catalog ID
STK629416
SMILES N#C/C(=c\1/scc([nH]1)C)/C(=O)Cn1c(=O)c2ccccc2n2c1=C(c1scc(n1)C)C(=O)C2

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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 C23H17N5O3S2 MW 475.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N5O3S2/c1-12-10-32-20(25-12)15(7-24)17(29)8-28-22-19(21-26-13(2)11-33-21)18(30)9-27(22)16-6-4-3-5-14(16)23(28)31/h3-6,10-11,25H,8-9H2,1-2H3/b20-15-
InChIKey
IMPFHTPZKDBWJN-HKWRFOASSA-N
Synonyms

(2Z)4(3(4methyl13thiazol2yl)25dioxo12dihydropyrrolo(12a)quinazolin4(5H)yl)2(4methyl13thiazol2(3H)ylidene)3oxobutanenitrile
(2Z)4(3(4methyl13thiazol2yl)25dioxo1Hpyrrolo(12a)quinazolin4yl)2(4methyl3H13thiazol2ylidene)3oxobutanenitrile
CC1=CSC(=C(C#N)C(=O)CN2C3=C(C(=O)CN3C4=CC=CC=C4C2=O)C5=NC(=CS5)C)N1
InChI=1SC23H17N5O3S2c112103220(2512)15(724)17(29)8282219(212613(2)113321)18(30)927(22)16643514(16)23(28)31h36101125H89H212H3b2015
MFCD18159329
N#CC(=c1scc((nH)1)C)C(=O)Cn1c(=O)c2ccccc2n2c1=C(c1scc(n1)C)C(=O)C2
ZINC000102566555
ZINC102566555

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Available files

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