Vitas-M small molecule compound
{6-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}(phenyl)methanone
Catalog ID
STK521663
SMILES CSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(c(c1)Cl)C)N(c1c2cccc1)C(=O)c1ccccc1
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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 C29H21ClN4O3S MW 541.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21ClN4O3S/c1-17-12-13-19(16-21(17)30)23-14-15-24(36-23)28-34(27(35)18-8-4-3-5-9-18)22-11-7-6-10-20(22)25-26(37-28)31-29(38-2)33-32-25/h3-16,28H,1-2H3InChIKey
VCVOLENXABSZSC-UHFFFAOYSA-NSynonyms
(6(5(3chloro4methylphenyl)furan2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(6(5(3chloro4methylphenyl)furan2yl)3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)phenylmethanone
CC1=C(C=C(C=C1)C2=CC=C(O2)C3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SC)C(=O)C6=CC=CC=C6)Cl
InChI=1SC29H21ClN4O3Sc117121319(1621(17)30)23141524(3623)2834(27(35)188435918)2211761020(22)2526(3728)3129(382)333225h31628H12H3
MFCD03080518
ZINC000101010546
ZINC000101010550
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