Vitas-M small molecule compound

ethyl 1-methyl-5-({3-[(propan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)-1H-pyrazole-3-carboxylate

Catalog ID
STK956003
SMILES CCOC(=O)c1nn(c(c1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2)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 C20H25N3O5S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S/c1-5-27-19(25)13-10-14(23(4)22-13)17(24)21-18-16(20(26)28-11(2)3)12-8-6-7-9-15(12)29-18/h10-11H,5-9H2,1-4H3,(H,21,24)
InChIKey
FVQXFKRNRGYQHH-UHFFFAOYSA-N
Synonyms
496835-01-9
496835019
CCOC(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C
ethyl1methyl5((3((propan2yloxy)carbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)1Hpyrazole3carboxylate
ethyl1methyl5((3propan2yloxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)pyrazole3carboxylate
InChI=1SC20H25N3O5Sc152719(25)131014(23(4)2213)17(24)211816(20(26)2811(2)3)12867915(12)2918h1011H59H214H3(H2124)
MFCD03074113
ZINC000002735801
ZINC02735801
ZINC2735801

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Available files

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