Vitas-M small molecule compound
ethyl 2-{[(4-{[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}phenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL397654
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)NC(=O)c2nn(cc2[N+](=O)[O-])CC)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 C24H25N5O6S MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O6S/c1-3-28-13-17(29(33)34)20(27-28)22(31)25-15-11-9-14(10-12-15)21(30)26-23-19(24(32)35-4-2)16-7-5-6-8-18(16)36-23/h9-13H,3-8H2,1-2H3,(H,25,31)(H,26,30)InChIKey
ZGMPEIDETPMYAK-UHFFFAOYSA-NSynonyms
1005611-50-61005611506
CCN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)c2ccc(cc2)NC(=O)c2nn(cc2(N+)(=O)(O))CC)sc2c1CCCC2
ethyl2(((4(((1ethyl4nitro1Hpyrazol3yl)carbonyl)amino)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4((1ethyl4nitropyrazole3carbonyl)amino)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC24H25N5O6Sc13281317(29(33)34)20(2728)22(31)251511914(101215)21(30)262319(24(32)3542)16756818(16)3623h913H38H212H3(H2531)(H2630)
MFCD04140752
ZINC000002731596
ZINC02731596
ZINC2731596
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