Vitas-M small molecule compound
6-[4-(benzyloxy)-3-ethoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169863
SMILES CCOc1cc(ccc1OCc1ccccc1)C1Nc2ccccc2c2c(O1)nc(SCC)nn2
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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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-3-32-23-16-19(14-15-22(23)33-17-18-10-6-5-7-11-18)25-28-21-13-9-8-12-20(21)24-26(34-25)29-27(31-30-24)35-4-2/h5-16,25,28H,3-4,17H2,1-2H3InChIKey
VXHXMEXSBNGPSN-UHFFFAOYSA-NSynonyms
353784-97-1353784971
6(3ETHOXY4PHENYLMETHOXYPHENYL)3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4(benzyloxy)3ethoxyphenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
CCOC1=C(C=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC)OCC5=CC=CC=C5
InChI=1SC27H26N4O3Sc1332231619(141522(23)331718106571118)25282113981220(21)2426(3425)2927(313024)3542h5162528H3417H212H3
MFCD01835069
ZINC000002746556
ZINC000002746557
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