Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL141893
SMILES COc1cccc2c1OC1(C)NC(=S)NC2C1C(=O)Nc1ccc(cc1C)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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-11-8-9-14(12(2)10-11)22-19(25)16-17-13-6-5-7-15(26-4)18(13)27-21(16,3)24-20(28)23-17/h5-10,16-17H,1-4H3,(H,22,25)(H2,23,24,28)InChIKey
IKGXDRYXDQGKIY-UHFFFAOYSA-NSynonyms
1008966-06-01008966060
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C(=CC=C4)OC)OC2(NC(=S)N3)C)C
InChI=1SC21H23N3O3Sc1118914(12(2)1011)2219(25)16171365715(264)18(13)2721(163)2420(28)2317h5101617H14H3(H2225)(H2232428)
MFCD04445097
N(24dimethylphenyl)10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000102866278
ZINC000135885247
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