Vitas-M small molecule compound

(5Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(2-propoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK799841
SMILES CCCOc1ccccc1/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 C22H18ClN3O2S MW 423.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O2S/c1-2-13-28-18-6-4-3-5-16(18)14-19-21(27)26-22(29-19)24-20(25-26)12-9-15-7-10-17(23)11-8-15/h3-12,14H,2,13H2,1H3/b12-9+,19-14-
InChIKey
JMCNZOTZDHXEKE-FRWQMALMSA-N
Synonyms

(5Z)2((E)2(4chlorophenyl)ethenyl)5((2propoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2((E)2(4chlorophenyl)ethenyl)5(2propoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=C(C=C4)Cl)S2
CCCOc1ccccc1C=c1sc2n(c1=O)nc(n2)C=Cc1ccc(cc1)Cl
InChI=1SC22H18ClN3O2Sc12132818643516(18)141921(27)2622(2919)2420(2526)1291571017(23)11815h31214H213H21H3b129+1914
MFCD06642816
ZINC000016735192
ZINC16735192

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Available files

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