Vitas-M small molecule compound
1-{6-[4-(cyclopentyloxy)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK509229
SMILES CSc1nnc2c(n1)OC(c1ccc(cc1)OC1CCCC1)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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c1-15(29)28-20-10-6-5-9-19(20)21-22(25-24(32-2)27-26-21)31-23(28)16-11-13-18(14-12-16)30-17-7-3-4-8-17/h5-6,9-14,17,23H,3-4,7-8H2,1-2H3InChIKey
VOTRKNKCIWVDKB-UHFFFAOYSA-NSynonyms
1(6(4(cyclopentyloxy)phenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4CYCLOPENTYLOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)OC5CCCC5
InChI=1SC24H24N4O3Sc115(29)28201065919(20)2122(2524(322)272621)3123(28)16111318(141216)3017734817h569141723H3478H212H3
MFCD02951888
ZINC000000684150
ZINC000000684151
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