Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enenitrile
Catalog ID
STL387348
SMILES N#C/C(=C\c1cc(Br)c(c(c1)OC)O)/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 C17H11BrN2O2S2 MW 419.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11BrN2O2S2/c1-22-14-8-10(7-12(18)16(14)21)6-11(9-19)23-17-20-13-4-2-3-5-15(13)24-17/h2-8,21H,1H3/b11-6+InChIKey
UDFISTLBDYDQSF-IZZDOVSWSA-NSynonyms
(2E)2(13benzothiazol2ylsulfanyl)3(3bromo4hydroxy5methoxyphenyl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YLSULFANYL)3(3BROMO4HYDROXY5METHOXYPHENYL)PROP2ENENITRILE
COC1=C(C(=CC(=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)Br)O
InChI=1SC17H11BrN2O2S2c12214810(712(18)16(14)21)611(919)23172013423515(13)2417h2821H1H3b116+
MFCD07359504
N#CC(=Cc1cc(Br)c(c(c1)OC)O)Sc1nc2c(s1)cccc2
ZINC000016474625
ZINC16474625
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