Vitas-M small molecule compound
(5Z)-5-[3-methoxy-4-(3-methylbutoxy)benzylidene]-2-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904016
SMILES COc1cc(ccc1OCCC(C)C)/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/c1-17(2)13-14-31-20-11-9-19(15-21(20)30-3)16-22-24(29)28-25(32-22)26-23(27-28)12-10-18-7-5-4-6-8-18/h4-12,15-17H,13-14H2,1-3H3/b12-10+,22-16-InChIKey
QYVQWWLCKQLPCC-RDZUBIMISA-NSynonyms
(5Z)5((3methoxy4(3methylbutoxy)phenyl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(3methoxy4(3methylbutoxy)benzylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=CC=C4)S2)OC
COc1cc(ccc1OCCC(C)C)C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1
InChI=1SC25H25N3O3Sc117(2)1314312011919(1521(20)303)162224(29)2825(3222)2623(2728)1210187546818h4121517H1314H213H3b1210+2216
MFCD18075979
ZINC000027021569
ZINC27021569
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