Vitas-M small molecule compound
1-[(2Z)-5-{[2-(butan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3-chlorophenyl)urea
Catalog ID
STL147981
SMILES CCC(c1ccccc1OCc1n[nH]/c(=N/C(=O)Nc2cccc(c2)Cl)/s1)C
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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 C20H21ClN4O2S MW 416.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O2S/c1-3-13(2)16-9-4-5-10-17(16)27-12-18-24-25-20(28-18)23-19(26)22-15-8-6-7-14(21)11-15/h4-11,13H,3,12H2,1-2H3,(H2,22,23,25,26)InChIKey
VLTCFEGFAYNYMN-UHFFFAOYSA-NSynonyms
426240-35-91((2Z)5((2(butan2yl)phenoxy)methyl)134thiadiazol2(3H)ylidene)3(3chlorophenyl)urea
1(5((2((2R)BUTAN2YL)PHENOXY)METHYL)134THIADIAZOL2YL)3(3CHLOROPHENYL)UREA
1(5((2((2S)BUTAN2YL)PHENOXY)METHYL)134THIADIAZOL2YL)3(3CHLOROPHENYL)UREA
1(5((2BUTAN2YLPHENOXY)METHYL)134THIADIAZOL2YL)3(3CHLOROPHENYL)UREA
426240359
CCC(C)C1=CC=CC=C1OCC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)Cl
CCC(c1ccccc1OCc1n(nH)c(=NC(=O)Nc2cccc(c2)Cl)s1)C
InChI=1SC20H21ClN4O2Sc1313(2)169451017(16)271218242520(2818)2319(26)221586714(21)1115h41113H312H212H3(H222232526)
MFCD03805525
ZINC000001305318
ZINC000001305320
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