Vitas-M small molecule compound
N-(4-methylbenzyl)-N'-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Catalog ID
STL051855
SMILES O=C(NCc1ccc(cc1)C)CCC(=O)/N=c\1/[nH]nc(s1)C(C)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 C17H22N4O2S MW 346.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O2S/c1-11(2)16-20-21-17(24-16)19-15(23)9-8-14(22)18-10-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,18,22)(H,19,21,23)InChIKey
MRDNWCCSZFZXRS-UHFFFAOYSA-NSynonyms
714925-25-4714925254
CC1=CC=C(C=C1)CNC(=O)CCC(=O)NC2=NN=C(S2)C(C)C
InChI=1SC17H22N4O2Sc111(2)16202117(2416)1915(23)9814(22)1810136412(3)5713h4711H810H213H3(H1822)(H192123)
MFCD05733683
N((4METHYLPHENYL)METHYL)N(5PROPAN2YL134THIADIAZOL2YL)BUTANEDIAMIDE
N(4methylbenzyl)N((2Z)5(propan2yl)134thiadiazol2(3H)ylidene)butanediamide
O=C(NCc1ccc(cc1)C)CCC(=O)N=c1(nH)nc(s1)C(C)C
ZINC000001272854
ZINC01272854
ZINC1272854
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