Vitas-M small molecule compound
N-[(2Z)-5-benzyl-1,3,4-thiadiazol-2(3H)-ylidene]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
Catalog ID
STK942112
SMILES O=C(/N=c\1/[nH]nc(s1)Cc1ccccc1)CCCCCn1nnc2c(c1=O)cccc2
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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 C22H22N6O2S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2S/c29-19(23-22-26-25-20(31-22)15-16-9-3-1-4-10-16)13-5-2-8-14-28-21(30)17-11-6-7-12-18(17)24-27-28/h1,3-4,6-7,9-12H,2,5,8,13-15H2,(H,23,26,29)InChIKey
AINGNRIIBBELDK-UHFFFAOYSA-NSynonyms
1219564-12-1C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4N=N3
N((2Z)5benzyl134thiadiazol2(3H)ylidene)6(4oxo123benzotriazin3(4H)yl)hexanamide
N(5benzyl134thiadiazol2yl)6(4oxo123benzotriazin3yl)hexanamide
O=C(N=c1(nH)nc(s1)Cc1ccccc1)CCCCCn1nnc2c(c1=O)cccc2
Registry IDs
MFCD18179987ZINC000040266232
ZINC40266232
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