Vitas-M small molecule compound
11-(4-fluorophenyl)-7,9-dimethyl-6-(thiophen-2-yl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione
Catalog ID
STK694261
SMILES Fc1ccc(cc1)c1n2c3ccccc3OC(c2c2c1c(=O)n(C)c(=O)n2C)c1cccs1
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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 C25H18FN3O3S MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18FN3O3S/c1-27-21-19(24(30)28(2)25(27)31)20(14-9-11-15(26)12-10-14)29-16-6-3-4-7-17(16)32-23(22(21)29)18-8-5-13-33-18/h3-13,23H,1-2H3InChIKey
KZKQQNJWMAIBHH-UHFFFAOYSA-NSynonyms
11(4fluorophenyl)79dimethyl6(thiophen2yl)6Hpyrimido(4534)pyrrolo(21c)(14)benzoxazine810(7H9H)dione
CN1C2=C3C(OC4=CC=CC=C4N3C(=C2C(=O)N(C1=O)C)C5=CC=C(C=C5)F)C6=CC=CS6
InChI=1SC25H18FN3O3Sc1272119(24(30)28(2)25(27)31)20(1491115(26)121014)2916634717(16)3223(22(21)29)1885133318h31323H12H3
MFCD12034490
ZINC000035178628
ZINC000035178630
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