Vitas-M small molecule compound
(5E)-2-(4-chlorophenyl)-5-[4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK702827
SMILES CCCCCOc1ccc(cc1)/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)Cl
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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 C22H20ClN3O2S MW 425.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O2S/c1-2-3-4-13-28-18-11-5-15(6-12-18)14-19-21(27)26-22(29-19)24-20(25-26)16-7-9-17(23)10-8-16/h5-12,14H,2-4,13H2,1H3/b19-14+InChIKey
VAINRMJANIKVRQ-XMHGGMMESA-NSynonyms
(5E)2(4CHLOROPHENYL)5((4PENTOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)2(4chlorophenyl)5(4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(E)2(4chlorophenyl)5(4(pentyloxy)benzylidene)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)Cl)S2
CCCCCOc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)Cl
InChI=1SC22H20ClN3O2Sc123413281811515(61218)141921(27)2622(2919)2420(2526)167917(23)10816h51214H2413H21H3b1914+
MFCD02990295
ZINC000002262591
ZINC02262591
ZINC2262591
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