Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK799177
SMILES CCOc1ccc(c(c1)C)c1nn(cc1/C=C(/c1nc2c(s1)cccc2)\C#N)c1ccccc1
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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 C28H22N4OS MW 462.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4OS/c1-3-33-23-13-14-24(19(2)15-23)27-21(18-32(31-27)22-9-5-4-6-10-22)16-20(17-29)28-30-25-11-7-8-12-26(25)34-28/h4-16,18H,3H2,1-2H3/b20-16+InChIKey
BMOQGZPPJGBIHQ-CAPFRKAQSA-NSynonyms
(2E)2(13benzothiazol2yl)3(3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)PROP2ENENITRILE
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C
CCOc1ccc(c(c1)C)c1nn(cc1C=C(c1nc2c(s1)cccc2)C#N)c1ccccc1
InChI=1SC28H22N4OSc133323131424(19(2)1523)2721(1832(3127)2295461022)1620(1729)28302511781226(25)3428h41618H3H212H3b2016+
MFCD03462316
ZINC000012621460
ZINC12621460
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