Vitas-M small molecule compound
3-{[(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}-2,2-dimethylcyclopropanecarboxylic acid
Catalog ID
STL242954
SMILES COc1ccc(cc1)Cc1n[nH]/c(=N/C(=O)C2C(C2(C)C)C(=O)O)/s1
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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 C17H19N3O4S MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O4S/c1-17(2)12(13(17)15(22)23)14(21)18-16-20-19-11(25-16)8-9-4-6-10(24-3)7-5-9/h4-7,12-13H,8H2,1-3H3,(H,22,23)(H,18,20,21)InChIKey
ZRSRETSISIFPED-UHFFFAOYSA-NSynonyms
1324083-16-01324083160
3(((2Z)5(4methoxybenzyl)134thiadiazol2(3H)ylidene)carbamoyl)22dimethylcyclopropanecarboxylicacid
3((5((4methoxyphenyl)methyl)134thiadiazol2yl)carbamoyl)22dimethylcyclopropane1carboxylicacid
CC1(C(C1C(=O)O)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC)C
COc1ccc(cc1)Cc1n(nH)c(=NC(=O)C2C(C2(C)C)C(=O)O)s1
InChI=1SC17H19N3O4Sc117(2)12(13(17)15(22)23)14(21)1816201911(2516)894610(243)759h471213H8H213H3(H2223)(H182021)
MFCD24859467
ZINC000071285099
ZINC000071285102
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