Vitas-M small molecule compound

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

Catalog ID
STL169898
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(c(c1)OCC)OCc1ccccc1

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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 C30H32N4O3S MW 528.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O3S/c1-3-5-11-18-38-30-32-29-27(33-34-30)23-14-9-10-15-24(23)31-28(37-29)22-16-17-25(26(19-22)35-4-2)36-20-21-12-7-6-8-13-21/h6-10,12-17,19,28,31H,3-5,11,18,20H2,1-2H3
InChIKey
KPMTUGHOFKNYRU-UHFFFAOYSA-N
Synonyms
353789-61-4
353789614
6(3ETHOXY4PHENYLMETHOXYPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4(benzyloxy)3ethoxyphenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC)N=N1
InChI=1SC30H32N4O3Sc13511183830322927(333430)23149101524(23)3128(3729)22161725(26(1922)3542)362021127681321h6101217192831H35111820H212H3
MFCD01920959
ZINC000002085788
ZINC000002085789

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Available files

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