Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-ylamino)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile

Catalog ID
STK557744
SMILES N#C/C(=C\Nc1ccc2c(c1)OCO2)/c1nc2c(s1)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 C17H11N3O2S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N3O2S/c18-8-11(17-20-13-3-1-2-4-16(13)23-17)9-19-12-5-6-14-15(7-12)22-10-21-14/h1-7,9,19H,10H2/b11-9+
InChIKey
OHBFFGGFUSNLNN-PKNBQFBNSA-N
Synonyms
577791-65-2
(2E)3(13benzodioxol5ylamino)2(13benzothiazol2yl)prop2enenitrile
(2E)3(2HBENZO(34D)13DIOXOLEN5YLAMINO)2BENZOTHIAZOL2YLPROP2ENENITRILE
(E)3(13BENZODIOXOL5YLAMINO)2(13BENZOTHIAZOL2YL)PROP2ENENITRILE
(E)3(benzo(d)(13)dioxol5ylamino)2(benzo(d)thiazol2yl)acrylonitrile
577791652
C1OC2=C(O1)C=C(C=C2)NC=C(C#N)C3=NC4=CC=CC=C4S3
InChI=1SC17H11N3O2Sc18811(172013312416(13)2317)91912561415(712)22102114h17919H10H2b119+
MFCD04027441
N#CC(=CNc1ccc2c(c1)OCO2)c1nc2c(s1)cccc2
ZINC000000531794
ZINC00531794
ZINC531794

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Available files

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