Vitas-M small molecule compound
3-(propylsulfanyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL482822
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(OC)c(c(c1)OC)OC
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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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-5-10-31-22-24-21-18(25-26-22)14-8-6-7-9-15(14)23-20(30-21)13-11-16(27-2)19(29-4)17(12-13)28-3/h6-9,11-12,20,23H,5,10H2,1-4H3InChIKey
WAQNIZNRVQPDHE-UHFFFAOYSA-NSynonyms
3(propylsulfanyl)6(345trimethoxyphenyl)67dihydro(124)triazino(56d)(31)benzoxazepine
3PROPYLSULFANYL6(345TRIMETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)OC)OC)OC)N=N1
InChI=1SC22H24N4O4Sc15103122242118(252622)14867915(14)2320(3021)131116(272)19(294)17(1213)283h6911122023H510H214H3
MFCD01030410
ZINC000002913156
ZINC000002913158
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