Vitas-M small molecule compound
ethyl 6-tert-butyl-2-{[(4-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK003600
SMILES CCOC(=O)c1c(NC(=O)Cn2ncc(c2)[N+](=O)[O-])sc2c1CCC(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 C20H26N4O5S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O5S/c1-5-29-19(26)17-14-7-6-12(20(2,3)4)8-15(14)30-18(17)22-16(25)11-23-10-13(9-21-23)24(27)28/h9-10,12H,5-8,11H2,1-4H3,(H,22,25)InChIKey
NMHWVCOXDIELRE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)CN3C=C(C=N3)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)Cn2ncc(c2)(N+)(=O)(O))sc2c1CCC(C2)C(C)(C)C
ethyl6tertbutyl2(((4nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((2(4nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H26N4O5Sc152919(26)17147612(20(23)4)815(14)3018(17)2216(25)11231013(92123)24(27)28h91012H5811H214H3(H2225)
MFCD02631220
STK003600
ZINC000012285172
ZINC000012285173
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