Vitas-M small molecule compound
2,2-dimethyl-3-{[(2Z)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamoyl}cyclopropanecarboxylic acid
Catalog ID
STL246910
SMILES O=C(C1C(C1(C)C)C(=O)O)/N=c\1/[nH]nc(s1)CCc1ccccc1
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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 C17H19N3O3S MW 345.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O3S/c1-17(2)12(13(17)15(22)23)14(21)18-16-20-19-11(24-16)9-8-10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3,(H,22,23)(H,18,20,21)InChIKey
KWPNEKARMCKPQU-UHFFFAOYSA-NSynonyms
1324095-23-91324095239
22dimethyl3(((2Z)5(2phenylethyl)134thiadiazol2(3H)ylidene)carbamoyl)cyclopropanecarboxylicacid
22dimethyl3((5(2phenylethyl)134thiadiazol2yl)carbamoyl)cyclopropane1carboxylicacid
CC1(C(C1C(=O)O)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3)C
InChI=1SC17H19N3O3Sc117(2)12(13(17)15(22)23)14(21)1816201911(2416)98106435710h371213H89H212H3(H2223)(H182021)
MFCD24860718
O=C(C1C(C1(C)C)C(=O)O)N=c1(nH)nc(s1)CCc1ccccc1
ZINC000071285953
ZINC000071285960
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