Vitas-M small molecule compound
methyl 2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK864682
SMILES COC(=O)c1c(NC(=O)Cn2cnc(n2)[N+](=O)[O-])sc2c1CCCC2
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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 C14H15N5O5S MW 365.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N5O5S/c1-24-13(21)11-8-4-2-3-5-9(8)25-12(11)16-10(20)6-18-7-15-14(17-18)19(22)23/h7H,2-6H2,1H3,(H,16,20)InChIKey
DLBYKLFUAADDJO-UHFFFAOYSA-NSynonyms
313248-75-8313248758
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC(=N3)(N+)(=O)(O)
COC(=O)c1c(NC(=O)Cn2cnc(n2)(N+)(=O)(O))sc2c1CCCC2
InChI=1SC14H15N5O5Sc12413(21)11842359(8)2512(11)1610(20)61871514(1718)19(22)23h7H26H21H3(H1620)
methyl2(((3nitro1H124triazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(3nitro124triazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(3nitro1H124triazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01450601
ZINC000001818969
ZINC01818969
ZINC1818969
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