Vitas-M small molecule compound
6-tert-butyl-2-[({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK331927
SMILES O=C(c1ccc(o1)Cn1nc(c(c1C)[N+](=O)[O-])C)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C
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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 C24H29N5O5S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O5S/c1-12-20(29(32)33)13(2)28(27-12)11-15-7-9-17(34-15)22(31)26-23-19(21(25)30)16-8-6-14(24(3,4)5)10-18(16)35-23/h7,9,14H,6,8,10-11H2,1-5H3,(H2,25,30)(H,26,31)InChIKey
XFXJSNNQJPLPHB-UHFFFAOYSA-NSynonyms
1005665-23-51005665235
6tertbutyl2(((5((35dimethyl4nitro1Hpyrazol1yl)methyl)furan2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N)C)(N+)(=O)(O)
InChI=1SC24H29N5O5Sc11220(29(32)33)13(2)28(2712)11157917(3415)22(31)262319(21(25)30)168614(24(34)5)1018(16)3523h7914H681011H215H3(H22530)(H2631)
MFCD02242794
N(6tertbutyl3carbamoyl4567tetrahydro1benzothiophen2yl)5((35dimethyl4nitropyrazol1yl)methyl)furan2carboxamide
O=C(c1ccc(o1)Cn1nc(c(c1C)(N+)(=O)(O))C)Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C
ZINC000002747101
ZINC000002747102
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