Vitas-M small molecule compound
3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(propan-2-yl)-4H-1,2,4-triazole
Catalog ID
STK465363
SMILES CC1CCc2c(C1)scc2c1nnc(n1C(C)C)SCn1ncc(c1)[N+](=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 C18H22N6O2S2 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N6O2S2/c1-11(2)23-17(15-9-27-16-6-12(3)4-5-14(15)16)20-21-18(23)28-10-22-8-13(7-19-22)24(25)26/h7-9,11-12H,4-6,10H2,1-3H3InChIKey
NUZHGRSAXIMWGM-UHFFFAOYSA-NSynonyms
3(6methyl4567tetrahydro1benzothiophen3yl)5(((4nitro1Hpyrazol1yl)methyl)sulfanyl)4(propan2yl)4H124triazole
3(6methyl4567tetrahydro1benzothiophen3yl)5((4nitropyrazol1yl)methylsulfanyl)4propan2yl124triazole
CC1CCC2=C(C1)SC=C2C3=NN=C(N3C(C)C)SCN4C=C(C=N4)(N+)(=O)(O)
CC1CCc2c(C1)scc2c1nnc(n1C(C)C)SCn1ncc(c1)(N+)(=O)(O)
InChI=1SC18H22N6O2S2c111(2)2317(1592716612(3)4514(15)16)202118(23)281022813(71922)24(25)26h791112H4610H213H3
MFCD05057889
ZINC000017091503
ZINC000017091504
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