Vitas-M small molecule compound
(5Z)-5-[3-ethoxy-4-(pentyloxy)benzylidene]-2-[(E)-2-phenylethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800645
SMILES CCCCCOc1ccc(cc1OCC)/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 C26H27N3O3S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S/c1-3-5-9-16-32-21-14-12-20(17-22(21)31-4-2)18-23-25(30)29-26(33-23)27-24(28-29)15-13-19-10-7-6-8-11-19/h6-8,10-15,17-18H,3-5,9,16H2,1-2H3/b15-13+,23-18-InChIKey
VBHFODGCRWBKFH-IIUJZJEXSA-NSynonyms
(5Z)5((3ethoxy4pentoxyphenyl)methylidene)2((E)2phenylethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(3ethoxy4(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)OCC
CCCCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(n2)C=Cc1ccccc1
InChI=1SC26H27N3O3Sc1359163221141220(1722(21)3142)182325(30)2926(3323)2724(2829)151319107681119h6810151718H35916H212H3b1513+2318
MFCD06642899
ZINC000016805846
ZINC16805846
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