Vitas-M small molecule compound
6-[5-(3-chloro-2-methylphenyl)furan-2-yl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169831
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)c1cccc(c1C)Cl
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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 C26H25ClN4O2S MW 493.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN4O2S/c1-3-4-7-15-34-26-29-25-23(30-31-26)18-9-5-6-12-20(18)28-24(33-25)22-14-13-21(32-22)17-10-8-11-19(27)16(17)2/h5-6,8-14,24,28H,3-4,7,15H2,1-2H3InChIKey
YNNQWWJPEINVSV-UHFFFAOYSA-NSynonyms
354546-91-1354546911
6(5(3CHLORO2METHYLPHENYL)2FURYL)3(PENTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(5(3chloro2methylphenyl)furan2yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5(3CHLORO2METHYLPHENYL)FURAN2YL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=C(C(=CC=C5)Cl)C)N=N1
InChI=1SC26H25ClN4O2Sc1347153426292523(303126)189561220(18)2824(3325)22141321(3222)171081119(27)16(17)2h568142428H34715H212H3
MFCD01648234
ZINC000002095982
ZINC000002095984
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