Vitas-M small molecule compound
4,4-dimethyl-N-(4-methylphenyl)-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Catalog ID
STK232141
SMILES O=C(C1CC(=O)N2N1C(C)(C)C(=O)N=C2S)Nc1ccc(cc1)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 C16H18N4O3S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3S/c1-9-4-6-10(7-5-9)17-13(22)11-8-12(21)19-15(24)18-14(23)16(2,3)20(11)19/h4-7,11H,8H2,1-3H3,(H,17,22)(H,18,23,24)InChIKey
ODTFOZVOIKQCSJ-UHFFFAOYSA-NSynonyms
956353-80-31mercapto44dimethyl38dioxoN(ptolyl)4678tetrahydro3Hpyrazolo(12a)(124)triazine6carboxamide
44dimethylN(4methylphenyl)38dioxo1sulfanyl3478tetrahydro6Hpyrazolo(12a)(124)triazine6carboxamide
CC1=CC=C(C=C1)NC(=O)C2CC(=O)N3N2C(C(=O)NC3=S)(C)C
InChI=1SC16H18N4O3Sc194610(759)1713(22)11812(21)1915(24)1814(23)16(23)20(11)19h4711H8H213H3(H1722)(H182324)
MFCD06594889
ZINC000017945773
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