Vitas-M small molecule compound
3-hydroxy-2-methyl-N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2H-1,4-benzoxazine-2-carboxamide
Catalog ID
STK942192
SMILES CC(Cc1n[nH]/c(=N\C(=O)C2(C)Oc3ccccc3N=C2O)/s1)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(2)8-12-19-20-15(24-12)18-14(22)16(3)13(21)17-10-6-4-5-7-11(10)23-16/h4-7,9H,8H2,1-3H3,(H,17,21)(H,18,20,22)InChIKey
QZELWNNGKSIRHF-UHFFFAOYSA-NSynonyms
1190279-43-61190279436
2methylN(5(2methylpropyl)134thiadiazol2yl)3oxo4H14benzoxazine2carboxamide
3hydroxy2methylN((2E)5(2methylpropyl)134thiadiazol2(3H)ylidene)2H14benzoxazine2carboxamide
CC(C)CC1=NN=C(S1)NC(=O)C2(C(=O)NC3=CC=CC=C3O2)C
CC(Cc1n(nH)c(=NC(=O)C2(C)Oc3ccccc3N=C2O)s1)C
InChI=1SC16H18N4O3Sc19(2)812192015(2412)1814(22)16(3)13(21)1710645711(10)2316h479H8H213H3(H1721)(H182022)
MFCD18180012
ZINC000036352567
ZINC000036352569
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