Vitas-M small molecule compound
1-{9-[(4-methoxyphenyl)carbonyl]-6-methyl-1-phenyl-4-thia-1,2,6,7,9-pentaazaspiro[4.4]nona-2,7-dien-3-yl}ethanone
Catalog ID
STK678158
SMILES COc1ccc(cc1)C(=O)N1C=NN(C21SC(=NN2c1ccccc1)C(=O)C)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 C20H19N5O3S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O3S/c1-14(26)18-22-25(16-7-5-4-6-8-16)20(29-18)23(2)21-13-24(20)19(27)15-9-11-17(28-3)12-10-15/h4-13H,1-3H3InChIKey
CSYUBYQKUVESLG-UHFFFAOYSA-NSynonyms
1(9((4methoxyphenyl)carbonyl)6methyl1phenyl4thia12679pentaazaspiro(44)nona27dien3yl)ethanone
1(9(4methoxybenzoyl)6methyl4phenyl1thia34679pentazaspiro(44)nona27dien2yl)ethanone
CC(=O)C1=NN(C2(S1)N(N=CN2C(=O)C3=CC=C(C=C3)OC)C)C4=CC=CC=C4
InChI=1SC20H19N5O3Sc114(26)182225(167546816)20(2918)23(2)211324(20)19(27)1591117(283)121015h413H13H3
MFCD03036589
ZINC000004577407
ZINC000004577408
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