Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK799056
SMILES CCCCCCOc1ccc(cc1)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 C31H28N4OS MW 504.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4OS/c1-2-3-4-10-19-36-27-17-15-23(16-18-27)30-25(22-35(34-30)26-11-6-5-7-12-26)20-24(21-32)31-33-28-13-8-9-14-29(28)37-31/h5-9,11-18,20,22H,2-4,10,19H2,1H3/b24-20+InChIKey
OYECEISGWNXCMO-HIXSDJFHSA-NSynonyms
(2E)2(13benzothiazol2yl)3(3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)PROP2ENENITRILE
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5
CCCCCCOc1ccc(cc1)c1nn(cc1C=C(c1nc2c(s1)cccc2)C#N)c1ccccc1
InChI=1SC31H28N4OSc123410193627171523(161827)3025(2235(3430)26116571226)2024(2132)31332813891429(28)3731h5911182022H241019H21H3b2420+
MFCD03462234
ZINC000012614387
ZINC12614387
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