Vitas-M small molecule compound
2-{(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}-N-phenylhydrazinecarbothioamide
Catalog ID
STK583107
SMILES C=CCN1C(=O)N=C(/C(=C(\NNC(=S)Nc2ccccc2)/C)/C1=O)O
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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 C16H17N5O3S MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O3S/c1-3-9-21-14(23)12(13(22)18-16(21)24)10(2)19-20-15(25)17-11-7-5-4-6-8-11/h3-8,19H,1,9H2,2H3,(H2,17,20,25)(H,18,22,24)/b12-10+InChIKey
ZODHDCQBQXQOQE-ZRDIBKRKSA-NSynonyms
1PHENYL3(((1E)1(246TRIOXO1PROP2ENYL13DIAZINAN5YLIDENE)ETHYL)AMINO)THIOUREA
2((1E)1(4hydroxy26dioxo1(prop2en1yl)16dihydropyrimidin5(2H)ylidene)ethyl)Nphenylhydrazinecarbothioamide
C=CCN1C(=O)N=C(C(=C(NNC(=S)Nc2ccccc2)C)C1=O)O
CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NNC(=S)NC2=CC=CC=C2
InChI=1SC16H17N5O3Sc1392114(23)12(13(22)1816(21)24)10(2)192015(25)17117546811h3819H19H22H3(H2172025)(H182224)b1210+
MFCD07199950
ZINC000013865130
ZINC13865130
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