Vitas-M small molecule compound
ethyl 2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK839077
SMILES CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)[N+](=O)[O-])sc2c1CCC(C2)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 C18H21ClN4O5S MW 440.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN4O5S/c1-4-28-18(25)14-11-6-5-9(2)7-12(11)29-17(14)20-13(24)8-22-10(3)15(19)16(21-22)23(26)27/h9H,4-8H2,1-3H3,(H,20,24)InChIKey
QIEPPWGIGUQEAL-UHFFFAOYSA-NSynonyms
355805-00-4355805004
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=C(C(=N3)(N+)(=O)(O))Cl)C
CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Cl)(N+)(=O)(O))sc2c1CCC(C2)C
ethyl2(((4chloro5methyl3nitro1Hpyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4chloro5methyl3nitropyrazol1yl)acetyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(4chloro5methyl3nitro1Hpyrazol1yl)acetamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC18H21ClN4O5Sc142818(25)1411659(2)712(11)2917(14)2013(24)82210(3)15(19)16(2122)23(26)27h9H48H213H3(H2024)
MFCD01451856
ZINC000000845103
ZINC000000845104
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