Vitas-M small molecule compound
N-[4-({(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)phenyl]acetamide
Catalog ID
STL043621
SMILES C=CCN1C(=NC(=O)/C(=C\Nc2ccc(cc2)NC(=O)C)/C1=O)S
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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 C16H16N4O3S MW 344.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O3S/c1-3-8-20-15(23)13(14(22)19-16(20)24)9-17-11-4-6-12(7-5-11)18-10(2)21/h3-7,9,17H,1,8H2,2H3,(H,18,21)(H,19,22,24)/b13-9+InChIKey
FHALWRAQBUIROU-UKTHLTGXSA-NSynonyms
C=CCN1C(=NC(=O)C(=CNc2ccc(cc2)NC(=O)C)C1=O)S
CC(=O)NC1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)CC=C
InChI=1SC16H16N4O3Sc1382015(23)13(14(22)1916(20)24)917114612(7511)1810(2)21h37917H18H22H3(H1821)(H192224)b139+
MFCD03809199
N(4(((E)(46dioxo1(prop2en1yl)2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)phenyl)acetamide
N(4(((E)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)PHENYL)ACETAMIDE
ZINC000002285068
ZINC000103103502
ZINC02285068
ZINC2285068
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