Vitas-M small molecule compound
(5Z)-5-(3-ethoxy-4-propoxybenzylidene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816592
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(c(c1)OCC)OCCC)/c2=O
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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 C25H27N3O4S MW 465.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4S/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/h7-12,15-16H,4-6,13-14H2,1-3H3/b22-16-InChIKey
BNDLJRPQRIPCAW-JWGURIENSA-NSynonyms
(5Z)5((3ETHOXY4PROPOXYPHENYL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(3ethoxy4propoxybenzylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCCC)OCC)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(c(c1)OCC)OCCC)c2=O
InChI=1SC25H27N3O4Sc1413311910818(91119)23262528(2723)24(29)22(3325)161771220(321452)21(1517)3063h7121516H461314H213H3b2216
MFCD03533493
ZINC000003636944
ZINC03636944
ZINC3636944
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