Vitas-M small molecule compound
ethyl 4-(5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]cyclohexyl}-1H-tetrazol-1-yl)benzoate
Catalog ID
STK041781
SMILES CCOC(=O)c1ccc(cc1)n1nnnc1C1(CCCCC1)Nc1c(C)n(n(c1=O)c1ccccc1)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 C27H31N7O3 MW 501.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N7O3/c1-4-37-25(36)20-13-15-21(16-14-20)33-26(29-30-31-33)27(17-9-6-10-18-27)28-23-19(2)32(3)34(24(23)35)22-11-7-5-8-12-22/h5,7-8,11-16,28H,4,6,9-10,17-18H2,1-3H3InChIKey
KEJRQZCWGGOEMW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=NN=N2)C3(CCCCC3)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C
CCOC(=O)c1ccc(cc1)n1nnnc1C1(CCCCC1)Nc1c(C)n(n(c1=O)c1ccccc1)C
ETHYL4(5(1((15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)AMINO)CYCLOHEXYL)1HTETRAZOL1YL)BENZOATE
ETHYL4(5(1((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)AMINO)CYCLOHEXYL)TETRAZOL1YL)BENZOATE
InChI=1SC27H31N7O3c143725(36)20131521(161420)3326(29303133)27(1796101827)282319(2)32(3)34(24(23)35)22117581222h578111628H469101718H213H3
MFCD03034134
STK041781
ZINC000009425546
ZINC09425546
ZINC9425546
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