Vitas-M small molecule compound
1-methyl-3-(1',3',7,9,9-pentamethyl-2',4',6'-trioxo-1',3',4',6',6a,7,8,9,10,11-decahydro-2'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidin]-3-yl)thiourea
Catalog ID
STK724738
SMILES CNC(=S)Nc1ccc2c(c1)CC1(C3N2C2CC(CC3(C2)C)(C)C)C(=O)N(C)C(=O)N(C1=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 C25H33N5O3S MW 483.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N5O3S/c1-23(2)11-16-12-24(3,13-23)18-25(19(31)28(5)22(33)29(6)20(25)32)10-14-9-15(27-21(34)26-4)7-8-17(14)30(16)18/h7-9,16,18H,10-13H2,1-6H3,(H2,26,27,34)InChIKey
YHJGUGBSHQYESE-UHFFFAOYSA-NSynonyms
1212096-89-31212096893
1methyl3(13799pentamethyl246trioxo13466a7891011decahydro2H5Hspiro(711methanoazepino(12a)quinoline65pyrimidin)3yl)thiourea
1methyl3(13799pentamethyl246trioxo2346a67891011decahydro1H5Hspiro(711methanoazepino(12a)quinoline65pyrimidin)3yl)thiourea
CC1(CC2CC(C1)(C3N2C4=C(CC35C(=O)N(C(=O)N(C5=O)C)C)C=C(C=C4)NC(=S)NC)C)C
InChI=1SC25H33N5O3Sc123(2)11161224(31323)1825(19(31)28(5)22(33)29(6)20(25)32)1014915(2721(34)264)7817(14)30(16)18h791618H1013H216H3(H2262734)
MFCD08285409
ZINC000101402251
ZINC000245329225
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