Vitas-M small molecule compound
(5Z)-5-[4-(pentyloxy)benzylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817414
SMILES CCCCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCCC
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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 C27H31N3O3S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3S/c1-3-5-7-17-32-22-13-9-20(10-14-22)19-24-26(31)30-27(34-24)28-25(29-30)21-11-15-23(16-12-21)33-18-8-6-4-2/h9-16,19H,3-8,17-18H2,1-2H3/b24-19-InChIKey
SKARYWBRYWZJRD-CLCOLTQESA-NSynonyms
(5Z)2(4PENTOXYPHENYL)5((4PENTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(pentyloxy)benzylidene)2(4(pentyloxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCCCCC)S2
CCCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCCC
InChI=1SC27H31N3O3Sc135717322213920(101422)192426(31)3027(3424)2825(2930)21111523(161221)33188642h91619H381718H212H3b2419
MFCD06642976
ZINC000016736223
ZINC16736223
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