Vitas-M small molecule compound
2-{5-[3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STL221403
SMILES O=C1N(CCCCCc2nn3c(s2)nnc3C23CC4CC(C3)CC(C2)C4)C(=O)c2c1cccc2
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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 C26H29N5O2S MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O2S/c32-22-19-6-3-4-7-20(19)23(33)30(22)9-5-1-2-8-21-29-31-24(27-28-25(31)34-21)26-13-16-10-17(14-26)12-18(11-16)15-26/h3-4,6-7,16-18H,1-2,5,8-15H2InChIKey
NZHZINSABVJVPK-UHFFFAOYSA-NSynonyms
2(5(3(1adamantyl)(124)triazolo(34b)(134)thiadiazol6yl)pentyl)isoindole13dione
2(5(3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazol6yl)pentyl)1Hisoindole13(2H)dione
C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)CCCCCN6C(=O)C7=CC=CC=C7C6=O
InChI=1SC26H29N5O2Sc322219634720(19)23(33)30(22)9512821293124(272825(31)3421)2613161017(1426)1218(1116)1526h34671618H125815H2
ZINC000080346335
ZINC80346335
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