Vitas-M small molecule compound
(5Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(3,4-dimethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800082
SMILES COc1cc(ccc1OC)/C=c/1\sc2n(c1=O)nc(n2)/C=C/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 C21H16ClN3O3S MW 425.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O3S/c1-27-16-9-5-14(11-17(16)28-2)12-18-20(26)25-21(29-18)23-19(24-25)10-6-13-3-7-15(22)8-4-13/h3-12H,1-2H3/b10-6+,18-12-InChIKey
QQSSTNRKEOOCOU-AWTFBBCTSA-NSynonyms
(5Z)2((E)2(4chlorophenyl)ethenyl)5((34dimethoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2((E)2(4chlorophenyl)ethenyl)5(34dimethoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
COC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC=C(C=C4)Cl)S2)OC
COc1cc(ccc1OC)C=c1sc2n(c1=O)nc(n2)C=Cc1ccc(cc1)Cl
InChI=1SC21H16ClN3O3Sc127169514(1117(16)282)121820(26)2521(2918)2319(2425)106133715(22)8413h312H12H3b106+1812
MFCD04447051
ZINC000016735449
ZINC16735449
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