Vitas-M small molecule compound
methyl (2Z)-2-{[3-phenyl-2-(1H-tetrazol-1-yl)propanoyl]imino}-5-propyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL407610
SMILES CCCc1s/c(=N\C(=O)C(n2cnnn2)Cc2ccccc2)/[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 C18H20N6O3S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O3S/c1-3-7-14-15(17(26)27-2)20-18(28-14)21-16(25)13(24-11-19-22-23-24)10-12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3,(H,20,21,25)InChIKey
SIMPVTFQSKDSGM-UHFFFAOYSA-NSynonyms
CCCC1=C(N=C(S1)NC(=O)C(CC2=CC=CC=C2)N3C=NN=N3)C(=O)OC
CCCc1sc(=NC(=O)C(n2cnnn2)Cc2ccccc2)(nH)c1C(=O)OC
InChI=1SC18H20N6O3Sc1371415(17(26)272)2018(2814)2116(25)13(241119222324)10128546912h46891113H3710H212H3(H202125)
methyl(2Z)2((3phenyl2(1Htetrazol1yl)propanoyl)imino)5propyl23dihydro13thiazole4carboxylate
methyl2((3phenyl2(tetrazol1yl)propanoyl)amino)5propyl13thiazole4carboxylate
MFCD30704827
ZINC000096232487
ZINC000206238897
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