Vitas-M small molecule compound
1-[1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
Catalog ID
STK455966
SMILES COc1cc(CCNC(=S)Nc2ncn(n2)Cc2ccc(c(c2)Cl)Cl)ccc1OC
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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 C20H21Cl2N5O2S MW 466.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl2N5O2S/c1-28-17-6-4-13(10-18(17)29-2)7-8-23-20(30)25-19-24-12-27(26-19)11-14-3-5-15(21)16(22)9-14/h3-6,9-10,12H,7-8,11H2,1-2H3,(H2,23,25,26,30)InChIKey
YGZXCISXGKHTOX-UHFFFAOYSA-NSynonyms
((1((34DICHLOROPHENYL)METHYL)(124TRIAZOL3YL))AMINO)((2(34DIMETHOXYPHENYL)ETHYL)AMINO)METHANE1THIONE
1(1((34DICHLOROPHENYL)METHYL)124TRIAZOL3YL)3(2(34DIMETHOXYPHENYL)ETHYL)THIOUREA
1(1(34dichlorobenzyl)1H124triazol3yl)3(2(34dimethoxyphenyl)ethyl)thiourea
COC1=C(C=C(C=C1)CCNC(=S)NC2=NN(C=N2)CC3=CC(=C(C=C3)Cl)Cl)OC
InChI=1SC20H21Cl2N5O2Sc128176413(1018(17)292)782320(30)2519241227(2619)11143515(21)16(22)914h3691012H7811H212H3(H223252630)
MFCD04227668
ZINC000002859168
ZINC02859168
ZINC2859168
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