Vitas-M small molecule compound

(2E)-2-(1,3-benzothiazol-2(3H)-ylidene)-4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxobutanenitrile

Catalog ID
STK548386
SMILES N#C/C(=c/1\sc2c([nH]1)cccc2)/C(=O)CSc1nc2c(o1)cccc2

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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 C18H11N3O2S2 MW 365.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11N3O2S2/c19-9-11(17-20-13-6-2-4-8-16(13)25-17)14(22)10-24-18-21-12-5-1-3-7-15(12)23-18/h1-8,20H,10H2/b17-11+
InChIKey
ZRRMHRGFJMRDDM-GZTJUZNOSA-N
Synonyms

(2E)2(13benzothiazol2(3H)ylidene)4(13benzoxazol2ylsulfanyl)3oxobutanenitrile
(2E)2(3H13BENZOTHIAZOL2YLIDENE)4(13BENZOXAZOL2YLSULFANYL)3OXOBUTANENITRILE
(E)4(benzo(d)oxazol2ylthio)2(benzo(d)thiazol2(3H)ylidene)3oxobutanenitrile
4BENZOXAZOL2YLTHIO2(3HYDROBENZOTHIAZOL2YLIDENE)3OXOBUTANENITRILE
C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=NC4=CC=CC=C4O3)S2
InChI=1SC18H11N3O2S2c19911(172013624816(13)2517)14(22)1024182112513715(12)2318h1820H10H2b1711+
MFCD03109980
N#CC(=c1sc2c((nH)1)cccc2)C(=O)CSc1nc2c(o1)cccc2
ZINC000005648912
ZINC05648912
ZINC5648912

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Available files

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