Vitas-M small molecule compound
4-[7-acetyl-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenyl acetate
Catalog ID
STK509259
SMILES CCCCCCSc1nnc2c(n1)OC(c1cc(OC)c(c(c1)OC)OC(=O)C)N(c1c2cccc1)C(=O)C
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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 C28H32N4O6S MW 552.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O6S/c1-6-7-8-11-14-39-28-29-26-24(30-31-28)20-12-9-10-13-21(20)32(17(2)33)27(38-26)19-15-22(35-4)25(37-18(3)34)23(16-19)36-5/h9-10,12-13,15-16,27H,6-8,11,14H2,1-5H3InChIKey
QPMSGEZBBRRBGD-UHFFFAOYSA-NSynonyms
(4(7ACETYL3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)26DIMETHOXYPHENYL)ACETATE
4(7acetyl3(hexylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)26dimethoxyphenylacetate
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)OC)OC(=O)C)OC)C(=O)C)N=N1
InChI=1SC28H32N4O6Sc167811143928292624(303128)20129101321(20)32(17(2)33)27(3826)191522(354)25(3718(3)34)23(1619)365h9101213151627H681114H215H3
MFCD03080336
ZINC000002104421
ZINC000002104423
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