Vitas-M small molecule compound
(3E)-6-methyl-3-{4-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-ylidene}-2H-pyran-2,4(3H)-dione
Catalog ID
STL181394
SMILES CC1=CC(=O)/C(=C/2\Nc3ccccc3NC(C2)c2cnn(c2C)C(C)C)/C(=O)O1
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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 C22H24N4O3 MW 392.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O3/c1-12(2)26-14(4)15(11-23-26)18-10-19(21-20(27)9-13(3)29-22(21)28)25-17-8-6-5-7-16(17)24-18/h5-9,11-12,18,24-25H,10H2,1-4H3/b21-19+InChIKey
QCECODXXUBJUEF-XUTLUUPISA-NSynonyms
1263038-87-4(3E)6methyl3(2(5methyl1propan2ylpyrazol4yl)1235tetrahydro15benzodiazepin4ylidene)pyran24dione
(3E)6methyl3(4(5methyl1(propan2yl)1Hpyrazol4yl)1345tetrahydro2H15benzodiazepin2ylidene)2Hpyran24(3H)dione
1263038874
6METHYL3(4(5METHYL1(METHYLETHYL)PYRAZOL4YL)(1H3H4H5HBENZO(B)14DIAZEPIN2YLIDENE))PYRAN24DIONE
CC1=CC(=O)C(=C2CC(NC3=CC=CC=C3N2)C4=C(N(N=C4)C(C)C)C)C(=O)O1
CC1=CC(=O)C(=C2Nc3ccccc3NC(C2)c2cnn(c2C)C(C)C)C(=O)O1
InChI=1SC22H24N4O3c112(2)2614(4)15(112326)181019(2120(27)913(3)2922(21)28)2517865716(17)2418h591112182425H10H214H3b2119+
MFCD20760068
ZINC000101942070
ZINC000101942075
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