Vitas-M small molecule compound
propan-2-yl 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK838705
SMILES CC(OC(=O)c1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCCC2)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 C19H24N4O5S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24N4O5S/c1-10(2)28-19(25)16-13-7-5-6-8-14(13)29-18(16)20-15(24)9-22-12(4)17(23(26)27)11(3)21-22/h10H,5-9H2,1-4H3,(H,20,24)InChIKey
CBSSAUXJTLMION-UHFFFAOYSA-NSynonyms
355805-23-1355805231
CC(OC(=O)c1c(NC(=O)Cn2nc(c(c2C)(N+)(=O)(O))C)sc2c1CCCC2)C
CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C)(N+)(=O)(O)
InChI=1SC19H24N4O5Sc110(2)2819(25)1613756814(13)2918(16)2015(24)92212(4)17(23(26)27)11(3)2122h10H59H214H3(H2024)
isopropyl2(2(35dimethyl4nitro1Hpyrazol1yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD01243823
propan2yl2(((35dimethyl4nitro1Hpyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2(35dimethyl4nitropyrazol1yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000000845133
ZINC00845133
ZINC845133
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