Vitas-M small molecule compound
2,6-di-tert-butyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Catalog ID
STL169706
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)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 C27H34N4O2S MW 478.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O2S/c1-8-13-34-25-29-24-21(30-31-25)17-11-9-10-12-20(17)28-23(33-24)16-14-18(26(2,3)4)22(32)19(15-16)27(5,6)7/h9-12,14-15,23,28,32H,8,13H2,1-7H3InChIKey
JNDOCUSDIZIVDR-UHFFFAOYSA-NSynonyms
438606-42-926ditertbutyl4(3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
26DITERTBUTYL4(3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
438606429
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)N=N1
InChI=1SC27H34N4O2Sc18133425292421(303125)17119101220(17)2823(3324)161418(26(23)4)22(32)19(1516)27(56)7h9121415232832H813H217H3
MFCD01018984
ZINC000002766122
ZINC000002766123
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