Vitas-M small molecule compound

6-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STL169912
SMILES CCOc1cc(cc(c1OCc1ccccc1)Cl)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 C27H25ClN4O3S MW 521.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN4O3S/c1-3-33-22-15-18(14-20(28)24(22)34-16-17-10-6-5-7-11-17)25-29-21-13-9-8-12-19(21)23-26(35-25)30-27(32-31-23)36-4-2/h5-15,25,29H,3-4,16H2,1-2H3
InChIKey
AJVRSSPQJYMXIS-UHFFFAOYSA-N
Synonyms
353787-08-3
353787083
6(3CHLORO5ETHOXY4PHENYLMETHOXYPHENYL)3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4(benzyloxy)3chloro5ethoxyphenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
CCOC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC)Cl)OCC5=CC=CC=C5
InChI=1SC27H25ClN4O3Sc1333221518(1420(28)24(22)341617106571117)25292113981219(21)2326(3525)3027(323123)3642h5152529H3416H212H3
MFCD01835140
ZINC000002085585
ZINC000002085586

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Available files

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