Vitas-M small molecule compound
(5Z)-5-(3-ethoxy-4-propoxybenzylidene)-2-[4-(prop-2-en-1-yloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817832
SMILES CCCOc1ccc(cc1OCC)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCC=C
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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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-4-13-31-19-10-8-18(9-11-19)23-26-25-28(27-23)24(29)22(33-25)16-17-7-12-20(32-14-5-2)21(15-17)30-6-3/h4,7-12,15-16H,1,5-6,13-14H2,2-3H3/b22-16-InChIKey
FYSBUJZGAYWKOE-JWGURIENSA-NSynonyms
(5Z)5((3ETHOXY4PROPOXYPHENYL)METHYLIDENE)2(4PROP2ENOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(3ethoxy4propoxybenzylidene)2(4(prop2en1yloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCC=C)S2)OCC
CCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCC=C
InChI=1SC25H25N3O4Sc1413311910818(91119)23262528(2723)24(29)22(3325)161771220(321452)21(1517)3063h47121516H1561314H223H3b2216
MFCD06643007
ZINC000016736576
ZINC16736576
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