Vitas-M small molecule compound
methyl (2Z)-2-({[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}imino)-5-ethyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL311038
SMILES COC(=O)c1[nH]/c(=N/C(=O)c2c(C)nn(c2C)C2CCS(=O)(=O)C2)/sc1CC
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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 C17H22N4O5S2 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O5S2/c1-5-12-14(16(23)26-4)18-17(27-12)19-15(22)13-9(2)20-21(10(13)3)11-6-7-28(24,25)8-11/h11H,5-8H2,1-4H3,(H,18,19,22)InChIKey
FLYJQWVUKODPPW-UHFFFAOYSA-NSynonyms
1401566-10-61401566106
CCC1=C(N=C(S1)NC(=O)C2=C(N(N=C2C)C3CCS(=O)(=O)C3)C)C(=O)OC
COC(=O)c1(nH)c(=NC(=O)c2c(C)nn(c2C)C2CCS(=O)(=O)C2)sc1CC
InChI=1SC17H22N4O5S2c151214(16(23)264)1817(2712)1915(22)139(2)2021(10(13)3)116728(2425)811h11H58H214H3(H181922)
methyl(2Z)2(((1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)carbonyl)imino)5ethyl23dihydro13thiazole4carboxylate
methyl2((1(11dioxothiolan3yl)35dimethylpyrazole4carbonyl)amino)5ethyl13thiazole4carboxylate
MFCD28025873
ZINC000079494062
ZINC000079494068
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