Vitas-M small molecule compound
(5Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(4-ethylbenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK799836
SMILES CCc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccc(cc1)Cl
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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 C21H16ClN3OS MW 393.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3OS/c1-2-14-3-5-16(6-4-14)13-18-20(26)25-21(27-18)23-19(24-25)12-9-15-7-10-17(22)11-8-15/h3-13H,2H2,1H3/b12-9+,18-13-InChIKey
HXUMFBPSONTYOB-KTYKIUSQSA-NSynonyms
(5Z)2((E)2(4CHLOROPHENYL)ETHENYL)5((4ETHYLPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2((E)2(4chlorophenyl)ethenyl)5(4ethylbenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=C(C=C4)Cl)S2
CCc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)C=Cc1ccc(cc1)Cl
InChI=1SC21H16ClN3OSc12143516(6414)131820(26)2521(2718)2319(2425)1291571017(22)11815h313H2H21H3b129+1813
MFCD06642811
ZINC000016735179
ZINC16735179
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