Vitas-M small molecule compound
methyl 6-tert-butyl-2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK957276
SMILES COC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)[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 C20H25ClN4O5S MW 468.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN4O5S/c1-10-16(21)17(25(28)29)23-24(10)9-14(26)22-18-15(19(27)30-5)12-7-6-11(20(2,3)4)8-13(12)31-18/h11H,6-9H2,1-5H3,(H,22,26)InChIKey
XWTSAUCWSOBUIL-UHFFFAOYSA-NSynonyms
489406-70-4489406704
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC)(N+)(=O)(O))Cl
COC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)(N+)(=O)(O))sc2c1CCC(C2)C(C)(C)C
InChI=1SC20H25ClN4O5Sc11016(21)17(25(28)29)2324(10)914(26)221815(19(27)305)127611(20(23)4)813(12)3118h11H69H215H3(H2226)
methyl6tertbutyl2(((4chloro5methyl3nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((2(4chloro5methyl3nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01450863
ZINC000000995786
ZINC000002738287
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