Vitas-M small molecule compound
1-[6-(naphthalen-2-yl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK980266
SMILES C=CCSc1nnc2c(n1)OC(c1ccc3c(c1)cccc3)N(c1c2cccc1)C(=O)CC
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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 C26H22N4O2S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O2S/c1-3-15-33-26-27-24-23(28-29-26)20-11-7-8-12-21(20)30(22(31)4-2)25(32-24)19-14-13-17-9-5-6-10-18(17)16-19/h3,5-14,16,25H,1,4,15H2,2H3InChIKey
LLFDZBQKVXCUES-UHFFFAOYSA-NSynonyms
1(6(naphthalen2yl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6NAPHTHALEN2YL3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
ALLYL6(2NAPHTHYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLSULFIDE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC5=CC=CC=C5C=C4
InChI=1SC26H22N4O2Sc13153326272423(282926)2011781221(20)30(22(31)42)25(3224)191413179561018(17)1619h35141625H1415H22H3
MFCD03784954
ZINC000002114323
ZINC000002114325
ZINC02114323
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