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-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK465156
SMILES C=CCn1c(nnc1c1csc2c1CCC(C2)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 C18H20N6O2S2 MW 416.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O2S2/c1-3-6-23-17(15-10-27-16-7-12(2)4-5-14(15)16)20-21-18(23)28-11-22-9-13(8-19-22)24(25)26/h3,8-10,12H,1,4-7,11H2,2H3InChIKey
FLPPGTYNSPRLJI-UHFFFAOYSA-NSynonyms
3(6methyl4567tetrahydro1benzothiophen3yl)5(((4nitro1Hpyrazol1yl)methyl)sulfanyl)4(prop2en1yl)4H124triazole
3(6methyl4567tetrahydro1benzothiophen3yl)5((4nitropyrazol1yl)methylsulfanyl)4prop2enyl124triazole
C=CCn1c(nnc1c1csc2c1CCC(C2)C)SCn1ncc(c1)(N+)(=O)(O)
CC1CCC2=C(C1)SC=C2C3=NN=C(N3CC=C)SCN4C=C(C=N4)(N+)(=O)(O)
InChI=1SC18H20N6O2S2c1362317(15102716712(2)4514(15)16)202118(23)281122913(81922)24(25)26h381012H14711H22H3
MFCD06076184
ZINC000017090728
ZINC000017090729
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