Vitas-M small molecule compound
N'-{(E)-[1-(butan-2-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}pyridine-4-carbohydrazide
Catalog ID
STL037880
SMILES CCC(N1C(=NC(=O)/C(=C\NNC(=O)c2ccncc2)/C1=O)S)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 C15H17N5O3S MW 347.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N5O3S/c1-3-9(2)20-14(23)11(13(22)18-15(20)24)8-17-19-12(21)10-4-6-16-7-5-10/h4-9,17H,3H2,1-2H3,(H,19,21)(H,18,22,24)/b11-8+InChIKey
ILEULSHQMGAUCF-DHZHZOJOSA-NSynonyms
CCC(C)N1C(=O)C(=CNNC(=O)C2=CC=NC=C2)C(=O)NC1=S
CCC(N1C(=NC(=O)C(=CNNC(=O)c2ccncc2)C1=O)S)C
InChI=1SC15H17N5O3Sc139(2)2014(23)11(13(22)1815(20)24)8171912(21)1046167510h4917H3H212H3(H1921)(H182224)b118+
ISONICOTINICACIDN(1SECBUTYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN(5E)YLIDENEMETHYL)HYDRAZIDE
MFCD04077334
N((E)(1(butan2yl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)pyridine4carbohydrazide
N((E)(1butan2yl46dioxo2sulfanylidene13diazinan5ylidene)methyl)pyridine4carbohydrazide
ZINC000006554854
ZINC000013496554
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