Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)prop-2-enenitrile
Catalog ID
STK294093
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/Sc1nc2c(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 C17H10N2O2S2 MW 338.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10N2O2S2/c18-9-12(7-11-5-6-14-15(8-11)21-10-20-14)22-17-19-13-3-1-2-4-16(13)23-17/h1-8H,10H2/b12-7+InChIKey
VIRYIVZSUBIWIN-KPKJPENVSA-NSynonyms
(2E)3(13benzodioxol5yl)2(13benzothiazol2ylsulfanyl)prop2enenitrile
(E)3(13BENZODIOXOL5YL)2(13BENZOTHIAZOL2YLSULFANYL)PROP2ENENITRILE
C1OC2=C(O1)C=C(C=C2)C=C(C#N)SC3=NC4=CC=CC=C4S3
InChI=1SC17H10N2O2S2c18912(711561415(811)21102014)22171913312416(13)2317h18H10H2b127+
MFCD06623329
N#CC(=Cc1ccc2c(c1)OCO2)Sc1nc2c(s1)cccc2
ZINC000005050483
ZINC05050483
ZINC5050483
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