Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile
Catalog ID
STL383501
SMILES CCOc1cc(cc(c1OCc1cccc2c1cccc2)Cl)/C=C(/c1nc2c(s1)cccc2)\C#N
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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 C29H21ClN2O2S MW 497.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN2O2S/c1-2-33-26-16-19(14-22(17-31)29-32-25-12-5-6-13-27(25)35-29)15-24(30)28(26)34-18-21-10-7-9-20-8-3-4-11-23(20)21/h3-16H,2,18H2,1H3/b22-14+InChIKey
PUTLQTDWEAQKKF-HYARGMPZSA-NSynonyms
(2E)2(13benzothiazol2yl)3(3chloro5ethoxy4(naphthalen1ylmethoxy)phenyl)prop2enenitrile
(E)2(13benzothiazol2yl)3(3chloro5ethoxy4(naphthalen1ylmethoxy)phenyl)prop2enenitrile
CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)Cl)OCC4=CC=CC5=CC=CC=C54
CCOc1cc(cc(c1OCc1cccc2c1cccc2)Cl)C=C(c1nc2c(s1)cccc2)C#N
InChI=1SC29H21ClN2O2Sc1233261619(1422(1731)29322512561327(25)3529)1524(30)28(26)3418211079208341123(20)21h316H218H21H3b2214+
MFCD03217496
ZINC000033790010
ZINC33790010
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