Vitas-M small molecule compound

(2E)-2-(1,3-benzothiazol-2(3H)-ylidene)-2-cyano-N-(4-methylphenyl)ethanamide

Catalog ID
STK952994
SMILES N#C/C(=c/1\sc2c([nH]1)cccc2)/C(=O)Nc1ccc(cc1)C

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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 C17H13N3OS MW 307.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3OS/c1-11-6-8-12(9-7-11)19-16(21)13(10-18)17-20-14-4-2-3-5-15(14)22-17/h2-9,20H,1H3,(H,19,21)/b17-13+
InChIKey
UNWDZCMPRNUSJF-GHRIWEEISA-N
Synonyms

(2E)2(13benzothiazol2(3H)ylidene)2cyanoN(4methylphenyl)ethanamide
(2E)2(3H13BENZOTHIAZOL2YLIDENE)2CYANON(4METHYLPHENYL)ACETAMIDE
2CYANO2(3HYDROBENZOTHIAZOL2YLIDENE)N(4METHYLPHENYL)ACETAMIDE
CC1=CC=C(C=C1)NC(=O)C(=C2NC3=CC=CC=C3S2)C#N
InChI=1SC17H13N3OSc1116812(9711)1916(21)13(1018)172014423515(14)2217h2920H1H3(H1921)b1713+
MFCD06438826
N#CC(=c1sc2c((nH)1)cccc2)C(=O)Nc1ccc(cc1)C
ZINC000005016952
ZINC05016952
ZINC5016952

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Available files

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