Vitas-M small molecule compound
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL141911
SMILES CCOc1ccc(cc1)N1C(=S)NC2C(C1(C)Oc1c2cccc1)C(=O)Nc1ccc(cc1)Cl
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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 C26H24ClN3O3S MW 494.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O3S/c1-3-32-19-14-12-18(13-15-19)30-25(34)29-23-20-6-4-5-7-21(20)33-26(30,2)22(23)24(31)28-17-10-8-16(27)9-11-17/h4-15,22-23H,3H2,1-2H3,(H,28,31)(H,29,34)InChIKey
WVARTFHSVGTSMN-UHFFFAOYSA-NSynonyms
1024421-82-61024421826
CCOC1=CC=C(C=C1)N2C(=S)NC3C(C2(OC4=CC=CC=C34)C)C(=O)NC5=CC=C(C=C5)Cl
InChI=1SC26H24ClN3O3Sc133219141218(131519)3025(34)292320645721(20)3326(302)22(23)24(31)281710816(27)91117h4152223H3H212H3(H2831)(H2934)
MFCD15086176
N(4chlorophenyl)3(4ethoxyphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000100031541
ZINC000245245875
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