Vitas-M small molecule compound
2-({4-methyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Catalog ID
STK245776
SMILES O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1C)COc1ccc2c(c1)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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-25-21(13-30-19-10-9-15-5-2-3-6-16(15)12-19)23-24-22(25)31-14-20(27)17-7-4-8-18(11-17)26(28)29/h4,7-12H,2-3,5-6,13-14H2,1H3InChIKey
BEBZWPJOXKYTBM-UHFFFAOYSA-NSynonyms
2((4methyl5((5678tetrahydronaphthalen2yloxy)methyl)4H124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2((4methyl5(5678tetrahydronaphthalen2yloxymethyl)124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))COC3=CC4=C(CCCC4)C=C3
InChI=1SC22H22N4O4Sc12521(13301910915523616(15)1219)232422(25)311420(27)1774818(1117)26(28)29h4712H23561314H21H3
MFCD08670492
O=C(c1cccc(c1)(N+)(=O)(O))CSc1nnc(n1C)COc1ccc2c(c1)CCCC2
ZINC000009328087
ZINC09328087
ZINC9328087
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