Vitas-M small molecule compound

6-[2-(pentyloxy)phenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STK979942
SMILES CCCCCOc1ccccc1C1Nc2ccccc2c2c(O1)nc(SCCCCC)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 C26H32N4O2S MW 464.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O2S/c1-3-5-11-17-31-22-16-10-8-14-20(22)24-27-21-15-9-7-13-19(21)23-25(32-24)28-26(30-29-23)33-18-12-6-4-2/h7-10,13-16,24,27H,3-6,11-12,17-18H2,1-2H3
InChIKey
ZRUNCZMKRXCFSH-UHFFFAOYSA-N
Synonyms
676591-25-6
6(2(pentyloxy)phenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2pentoxyphenyl)3pentylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
676591256
CCCCCOC1=CC=CC=C1C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCCCCC
InChI=1SC26H32N4O2Sc13511173122161081420(22)24272115971319(21)2325(3224)2826(302923)331812642h71013162427H3611121718H212H3
MFCD01919477
ZINC000002742902
ZINC000002742903

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Available files

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