Vitas-M small molecule compound
(5Z)-5-[3-methoxy-4-(pentyloxy)benzylidene]-2-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904310
SMILES CCCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccccc1
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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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-3-4-8-15-31-20-13-11-19(16-21(20)30-2)17-22-24(29)28-25(32-22)26-23(27-28)14-12-18-9-6-5-7-10-18/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3/b14-12+,22-17-InChIKey
IQPDCXBPJFNQFB-KOEIGMAUSA-NSynonyms
(5Z)5((3methoxy4pentoxyphenyl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(3methoxy4(pentyloxy)benzylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=CC=C4)S2)OC
CCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1
InChI=1SC25H25N3O3Sc1348153120131119(1621(20)302)172224(29)2825(3222)2623(2728)14121896571018h579141617H34815H212H3b1412+2217
MFCD18175408
ZINC000027021801
ZINC27021801
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