Vitas-M small molecule compound

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

Catalog ID
STK880661
SMILES CCCOc1ccc(cc1OCC)/C=c/1\sc2n(c1=O)nc(n2)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 C22H20ClN3O3S MW 441.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O3S/c1-3-11-29-17-10-5-14(12-18(17)28-4-2)13-19-21(27)26-22(30-19)24-20(25-26)15-6-8-16(23)9-7-15/h5-10,12-13H,3-4,11H2,1-2H3/b19-13-
InChIKey
JJHJRJKBCCVPOQ-UYRXBGFRSA-N
Synonyms
617694-31-2
(5Z)2(4CHLOROPHENYL)5((3ETHOXY4PROPOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4chlorophenyl)5(3ethoxy4propoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(E)2(4chlorophenyl)5(3ethoxy4propoxybenzylidene)thiazolo(32b)(124)triazol6(5H)one
2(4CHLOROPHENYL)5(3ETHOXY4PROPOXYBENZYLIDENE)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
617694312
CCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Cl)S2)OCC
CCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)Cl
InChI=1SC22H20ClN3O3Sc1311291710514(1218(17)2842)131921(27)2622(3019)2420(2526)156816(23)9715h5101213H3411H212H3b1913
MFCD04441265
ZINC000028629665
ZINC28629665

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Available files

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