Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Catalog ID
STL134974
SMILES C=CCn1c(=O)c2ccc(cc2n(c1=O)CC(=O)NCCC1=CCCCC1)C(=O)NCc1ccc2c(c1)OCO2
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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 C30H32N4O6 MW 544.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O6/c1-2-14-33-29(37)23-10-9-22(28(36)32-17-21-8-11-25-26(15-21)40-19-39-25)16-24(23)34(30(33)38)18-27(35)31-13-12-20-6-4-3-5-7-20/h2,6,8-11,15-16H,1,3-5,7,12-14,17-19H2,(H,31,35)(H,32,36)InChIKey
IIVKKLWRRZHIDN-UHFFFAOYSA-NSynonyms
C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N(C1=O)CC(=O)NCCC5=CCCCC5
InChI=1SC30H32N4O6c12143329(37)2310922(28(36)3217218112526(1521)40193925)1624(23)34(30(33)38)1827(35)311312206435720h268111516H135712141719H2(H3135)(H3236)
MFCD14761487
N(13benzodioxol5ylmethyl)1(2((2(cyclohex1en1yl)ethyl)amino)2oxoethyl)24dioxo3(prop2en1yl)1234tetrahydroquinazoline7carboxamide
N(13benzodioxol5ylmethyl)1(2(2(cyclohexen1yl)ethylamino)2oxoethyl)24dioxo3prop2enylquinazoline7carboxamide
ZINC000101241122
ZINC101241122
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