Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(2-propoxynaphthalen-1-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980050
SMILES CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1c(OCCC)ccc2c1cccc2
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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 C29H30N4O3S MW 514.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3S/c1-4-6-18-37-29-30-27-26(31-32-29)22-13-9-10-14-23(22)33(19(3)34)28(36-27)25-21-12-8-7-11-20(21)15-16-24(25)35-17-5-2/h7-16,28H,4-6,17-18H2,1-3H3InChIKey
SMDFANREYRXXOS-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(2propoxynaphthalen1yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(2PROPOXYNAPHTHALEN1YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
1(7ACETYL3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2NAPHTHYLPROPYLETHER
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC5=CC=CC=C54)OCCC)C(=O)C)N=N1
InChI=1SC29H30N4O3Sc146183729302726(313229)22139101423(22)33(19(3)34)28(3627)252112871120(21)151624(25)351752h71628H461718H213H3
MFCD02326687
ZINC000002094924
ZINC000002094926
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