Vitas-M small molecule compound
(5Z)-5-[3-methoxy-4-(pentyloxy)benzylidene]-2-[(E)-2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904474
SMILES CCCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1cccs1
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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 C23H23N3O3S2 MW 453.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3S2/c1-3-4-5-12-29-18-10-8-16(14-19(18)28-2)15-20-22(27)26-23(31-20)24-21(25-26)11-9-17-7-6-13-30-17/h6-11,13-15H,3-5,12H2,1-2H3/b11-9+,20-15-InChIKey
HRVMXHJDNLXQGD-DVGBGDLNSA-NSynonyms
(5Z)5((3methoxy4pentoxyphenyl)methylidene)2((E)2thiophen2ylethenyl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(3methoxy4(pentyloxy)benzylidene)2((E)2(thiophen2yl)ethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=CS4)S2)OC
CCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)C=Cc1cccs1
InChI=1SC23H23N3O3S2c134512291810816(1419(18)282)152022(27)2623(3120)2421(2526)1191776133017h6111315H3512H212H3b119+2015
MFCD18076090
ZINC000027022041
ZINC27022041
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