Vitas-M small molecule compound
N-(2,4-dimethylphenyl)-3-(4-ethylphenyl)-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192561
SMILES CCc1ccc(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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c1-6-19-11-13-20(14-12-19)32-28(36)31-25-21-8-7-9-23(34-5)26(21)35-29(32,4)24(25)27(33)30-22-15-10-17(2)16-18(22)3/h7-16,24-25H,6H2,1-5H3,(H,30,33)(H,31,36)InChIKey
QVQDPVNIIMWGOS-UHFFFAOYSA-NSynonyms
1023548-28-81023548288
CCC1=CC=C(C=C1)N2C(=S)NC3C(C2(OC4=C3C=CC=C4OC)C)C(=O)NC5=C(C=C(C=C5)C)C
InChI=1SC29H31N3O3Sc1619111320(141219)3228(36)31252187923(345)26(21)3529(324)24(25)27(33)3022151017(2)1618(22)3h7162425H6H215H3(H3033)(H3136)
MFCD15086204
N(24dimethylphenyl)3(4ethylphenyl)10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100031746
ZINC000242648381
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