Vitas-M small molecule compound
2-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}-2-oxoethyl 5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylate
Catalog ID
STK676349
SMILES COC(=O)c1c(NC(=O)COC(=O)c2c(nn(c2C)c2ccccc2)c2ccccc2)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 C28H25N3O5S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O5S/c1-17-23(25(18-10-5-3-6-11-18)30-31(17)19-12-7-4-8-13-19)28(34)36-16-22(32)29-26-24(27(33)35-2)20-14-9-15-21(20)37-26/h3-8,10-13H,9,14-16H2,1-2H3,(H,29,32)InChIKey
BUBNXBZVEJPKFQ-UHFFFAOYSA-NSynonyms
(2((3METHOXYCARBONYL56DIHYDRO4HCYCLOPENTA(B)THIOPHEN2YL)AMINO)2OXOETHYL)5METHYL13DIPHENYLPYRAZOLE4CARBOXYLATE
2((3(methoxycarbonyl)56dihydro4Hcyclopenta(b)thiophen2yl)amino)2oxoethyl5methyl13diphenyl1Hpyrazole4carboxylate
CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC
InChI=1SC28H25N3O5Sc11723(25(18105361118)3031(17)19127481319)28(34)361622(32)292624(27(33)352)201491521(20)3726h381013H91416H212H3(H2932)
MFCD01871931
ZINC000009968551
ZINC09968551
ZINC9968551
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