Vitas-M small molecule compound

2-(4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine

Catalog ID
STK848114
SMILES c1ccc(cc1)n1c(SC/C=C/c2ccccc2)nnc1c1cnccn1

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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 C21H17N5S MW 371.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5S/c1-3-8-17(9-4-1)10-7-15-27-21-25-24-20(19-16-22-13-14-23-19)26(21)18-11-5-2-6-12-18/h1-14,16H,15H2/b10-7+
InChIKey
IBBJIRFYRIMBHF-JXMROGBWSA-N
Synonyms
712282-98-9
(E)2(5(cinnamylthio)4phenyl4H124triazol3yl)pyrazine
2(4phenyl5(((2E)3phenylprop2en1yl)sulfanyl)4H124triazol3yl)pyrazine
2(4PHENYL5((E)3PHENYLPROP2ENYL)SULFANYL124TRIAZOL3YL)PYRAZINE
3((2E)3PHENYLPROP2ENYLTHIO)4PHENYL5PYRAZIN2YL124TRIAZOLE
712282989
C1=CC=C(C=C1)C=CCSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4
c1ccc(cc1)n1c(SCC=Cc2ccccc2)nnc1c1cnccn1
InChI=1SC21H17N5Sc13817(941)107152721252420(19162213142319)26(21)18115261218h11416H15H2b107+
MFCD05997436
ZINC000002215579
ZINC02215579
ZINC2215579

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Available files

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