Vitas-M small molecule compound
10-methoxy-N-(4-methoxyphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL166044
SMILES COc1ccc(cc1)NC(=O)C1C2NC(=S)NC1(C)Oc1c2cccc1OC
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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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-20-15(18(24)21-11-7-9-12(25-2)10-8-11)16(22-19(28)23-20)13-5-4-6-14(26-3)17(13)27-20/h4-10,15-16H,1-3H3,(H,21,24)(H2,22,23,28)InChIKey
UHGARAISYKKZIE-UHFFFAOYSA-NSynonyms
10methoxyN(4methoxyphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=C(O1)C(=CC=C3)OC)NC(=S)N2)C(=O)NC4=CC=C(C=C4)OC
InChI=1SC20H21N3O4Sc12015(18(24)21117912(252)10811)16(2219(28)2320)1354614(263)17(13)2720h4101516H13H3(H2124)(H2222328)
MFCD15085978
ZINC000104785775
ZINC000104785777
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