Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-10-methoxy-3-(4-methoxyphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL183443
SMILES COc1ccc(cc1)N1C(=S)NC2C(C1(C)Oc1c2cccc1OC)C(=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 C28H29N3O4S MW 503.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4S/c1-16-9-14-21(17(2)15-16)29-26(32)23-24-20-7-6-8-22(34-5)25(20)35-28(23,3)31(27(36)30-24)18-10-12-19(33-4)13-11-18/h6-15,23-24H,1-5H3,(H,29,32)(H,30,36)InChIKey
BGFAJLLYWXZGMJ-UHFFFAOYSA-NSynonyms
1022030-53-01022030530
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C(=CC=C4)OC)OC2(N(C(=S)N3)C5=CC=C(C=C5)OC)C)C
InChI=1SC28H29N3O4Sc11691421(17(2)1516)2926(32)23242076822(345)25(20)3528(233)31(27(36)3024)18101219(334)131118h6152324H15H3(H2932)(H3036)
MFCD15086029
N(24dimethylphenyl)10methoxy3(4methoxyphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100030999
ZINC000100031004
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