Vitas-M small molecule compound
methyl (2Z)-2-({[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}imino)-5-propyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL310560
SMILES CCCc1s/c(=N\C(=O)c2c(C)nn(c2C)C2CCS(=O)(=O)C2)/[nH]c1C(=O)OC
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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 C18H24N4O5S2 MW 440.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O5S2/c1-5-6-13-15(17(24)27-4)19-18(28-13)20-16(23)14-10(2)21-22(11(14)3)12-7-8-29(25,26)9-12/h12H,5-9H2,1-4H3,(H,19,20,23)InChIKey
HKGAAJKHKQNQRA-UHFFFAOYSA-NSynonyms
1401594-48-61401594486
CCCC1=C(N=C(S1)NC(=O)C2=C(N(N=C2C)C3CCS(=O)(=O)C3)C)C(=O)OC
CCCc1sc(=NC(=O)c2c(C)nn(c2C)C2CCS(=O)(=O)C2)(nH)c1C(=O)OC
InChI=1SC18H24N4O5S2c1561315(17(24)274)1918(2813)2016(23)1410(2)2122(11(14)3)127829(2526)912h12H59H214H3(H192023)
methyl(2Z)2(((1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)carbonyl)imino)5propyl23dihydro13thiazole4carboxylate
methyl2((1(11dioxothiolan3yl)35dimethylpyrazole4carbonyl)amino)5propyl13thiazole4carboxylate
MFCD28025589
ZINC000079493797
ZINC000079493803
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