Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(2-propoxynaphthalen-1-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521904
SMILES CCCOc1ccc2c(c1C1Oc3nc(SCC)nnc3c3c(N1C(=O)C)cccc3)cccc2
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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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-4-16-33-22-15-14-18-10-6-7-11-19(18)23(22)26-31(17(3)32)21-13-9-8-12-20(21)24-25(34-26)28-27(30-29-24)35-5-2/h6-15,26H,4-5,16H2,1-3H3InChIKey
HIRCNVYCUOXQPI-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(2propoxynaphthalen1yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(2PROPOXYNAPHTHALEN1YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCOC1=C(C2=CC=CC=C2C=C1)C3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC)C(=O)C
InChI=1SC27H26N4O3Sc1416332215141810671119(18)23(22)2631(17(3)32)2113981220(21)2425(3426)2827(302924)3552h61526H4516H213H3
MFCD03717351
ZINC000002822380
ZINC000002822381
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