Vitas-M small molecule compound

3-(methylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STL169716
SMILES COc1c(ccc(c1OC)OC)C1Nc2ccccc2c2c(O1)nc(SC)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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c1-25-14-10-9-12(16(26-2)17(14)27-3)18-21-13-8-6-5-7-11(13)15-19(28-18)22-20(29-4)24-23-15/h5-10,18,21H,1-4H3
InChIKey
ZKCHLWAFYYSTMI-UHFFFAOYSA-N
Synonyms

3(methylsulfanyl)6(234trimethoxyphenyl)67dihydro(124)triazino(56d)(31)benzoxazepine
3METHYLSULFANYL6(234TRIMETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
COC1=C(C(=C(C=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)OC)OC
InChI=1SC20H20N4O4Sc1251410912(16(262)17(14)273)182113865711(13)1519(2818)2220(294)242315h5101821H14H3
MFCD01064728
ZINC000000886000
ZINC000000886004

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Available files

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