Vitas-M small molecule compound
6-[5-(4-fluorophenyl)furan-2-yl]-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326747
SMILES CCCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)c1ccc(cc1)F
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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 C26H25FN4O2S MW 476.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN4O2S/c1-2-3-4-7-16-34-26-29-25-23(30-31-26)19-8-5-6-9-20(19)28-24(33-25)22-15-14-21(32-22)17-10-12-18(27)13-11-17/h5-6,8-15,24,28H,2-4,7,16H2,1H3InChIKey
LGLGRLFLXCQYSH-UHFFFAOYSA-NSynonyms
6(5(4fluorophenyl)furan2yl)3(hexylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5(4fluorophenyl)furan2yl)3hexylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=C(C=C5)F)N=N1
InChI=1SC26H25FN4O2Sc12347163426292523(303126)19856920(19)2824(3325)22151421(3222)17101218(27)131117h568152428H24716H21H3
MFCD04230370
ZINC000015015458
ZINC000015015459
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