Vitas-M small molecule compound
1-{6-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Catalog ID
STK980259
SMILES C=CCSc1nnc2c(n1)OC(c1cc(Br)c(c(c1)OC)OCc1ccccc1)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 C30H27BrN4O4S MW 619.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27BrN4O4S/c1-4-15-40-30-32-28-26(33-34-30)21-13-9-10-14-23(21)35(25(36)5-2)29(39-28)20-16-22(31)27(24(17-20)37-3)38-18-19-11-7-6-8-12-19/h4,6-14,16-17,29H,1,5,15,18H2,2-3H3InChIKey
NLWGPXUCAVDONK-UHFFFAOYSA-NSynonyms
1(6(3BROMO5METHOXY4PHENYLMETHOXYPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
1(6(4(benzyloxy)3bromo5methoxyphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
3(ALLYLSULFANYL)6(4(BENZYLOXY)3BROMO5METHOXYPHENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC
InChI=1SC30H27BrN4O4Sc14154030322826(333430)21139101423(21)35(25(36)52)29(3928)201622(31)27(24(1720)373)381819117681219h4614161729H151518H223H3
MFCD03785010
ZINC000008398676
ZINC000008398685
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