Vitas-M small molecule compound
2-(2-{[(2E)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]amino}-2-oxoethyl)benzoic acid
Catalog ID
STL247797
SMILES O=C(/N=c/1\[nH]nc(s1)C1CCCCC1)Cc1ccccc1C(=O)O
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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/c21-14(10-12-8-4-5-9-13(12)16(22)23)18-17-20-19-15(24-17)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,22,23)(H,18,20,21)InChIKey
JBKFNJPRRQKPJI-UHFFFAOYSA-NSynonyms
1324076-20-11324076201
2(2(((2E)5cyclohexyl134thiadiazol2(3H)ylidene)amino)2oxoethyl)benzoicacid
2(2((5cyclohexyl134thiadiazol2yl)amino)2oxoethyl)benzoicacid
C1CCC(CC1)C2=NN=C(S2)NC(=O)CC3=CC=CC=C3C(=O)O
InChI=1SC17H19N3O3Sc2114(1012845913(12)16(22)23)1817201915(2417)116213711h458911H136710H2(H2223)(H182021)
MFCD24860998
O=C(N=c1(nH)nc(s1)C1CCCCC1)Cc1ccccc1C(=O)O
ZINC000071288796
ZINC71288796
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