Vitas-M small molecule compound
7-tert-butyl-N'-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
Catalog ID
STK084536
SMILES O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)NN=C1C(=O)NC(=O)NC1=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 C17H18N4O6 MW 374.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O6/c1-17(2,3)8-4-5-9-10(6-8)27-11(7-26-9)13(22)21-20-12-14(23)18-16(25)19-15(12)24/h4-6,11H,7H2,1-3H3,(H,21,22)(H2,18,19,23,24,25)InChIKey
SSSKJLXVEIKJHE-UHFFFAOYSA-NSynonyms
(7(TERTBUTYL)(2H3HBENZO(E)14DIOXIN2YL))N((246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))AZAMETHYL)CARBOXAMIDE
6TERTBUTYLN((246TRIOXO13DIAZINAN5YLIDENE)AMINO)23DIHYDRO14BENZODIOXINE3CARBOXAMIDE
7TERTBUTYLN(246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)23DIHYDRO14BENZODIOXINE2CARBOHYDRAZIDE
CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=C3C(=O)NC(=O)NC3=O
InChI=1SC17H18N4O6c117(23)845910(68)2711(7269)13(22)21201214(23)1816(25)1915(12)24h4611H7H213H3(H2122)(H21819232425)
MFCD02314956
O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)NN=C1C(=O)NC(=O)NC1=O
STK084536
ZINC000006762016
ZINC000006762018
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