Vitas-M small molecule compound
methyl 2-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl}carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STL402939
SMILES COC(=O)c1c(NC(=O)c2noc(c2Cn2nc(c(c2C)[N+](=O)[O-])C)C)sc2c1CCC2
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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 C20H21N5O6S MW 459.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O6S/c1-9-17(25(28)29)10(2)24(22-9)8-13-11(3)31-23-16(13)18(26)21-19-15(20(27)30-4)12-6-5-7-14(12)32-19/h5-8H2,1-4H3,(H,21,26)InChIKey
ZPESKPPPZPCRCH-UHFFFAOYSA-NSynonyms
1006993-78-71006993787
CC1=C(C(=NN1CC2=C(ON=C2C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC)C)C)(N+)(=O)(O)
COC(=O)c1c(NC(=O)c2noc(c2Cn2nc(c(c2C)(N+)(=O)(O))C)C)sc2c1CCC2
InChI=1SC20H21N5O6Sc1917(25(28)29)10(2)24(229)81311(3)312316(13)18(26)211915(20(27)304)1265714(12)3219h58H214H3(H2126)
methyl2(((4((35dimethyl4nitro1Hpyrazol1yl)methyl)5methyl12oxazol3yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
methyl2((4((35dimethyl4nitropyrazol1yl)methyl)5methyl12oxazole3carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((4((35DIMETHYL4NITROPYRAZOLYL)METHYL)5METHYLISOXAZOL3YL)CARBONYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
MFCD08282988
ZINC000008782542
ZINC08782542
ZINC8782542
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