Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(2-iodophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL300334
SMILES Ic1ccccc1c1nn2c(s1)nnc2CN1CCCCCC1
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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 C16H18IN5S MW 439.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18IN5S/c17-13-8-4-3-7-12(13)15-20-22-14(18-19-16(22)23-15)11-21-9-5-1-2-6-10-21/h3-4,7-8H,1-2,5-6,9-11H2InChIKey
MCEBKIPBXQCPHP-UHFFFAOYSA-NSynonyms
3(1AZEPANYLMETHYL)6(2IODOPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(azepan1ylmethyl)6(2iodophenyl)(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)C4=CC=CC=C4I
InChI=1SC16H18IN5Sc1713843712(13)15202214(181916(22)2315)1121951261021h3478H1256911H2
MFCD22375586
ZINC000071260586
ZINC71260586
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