Vitas-M small molecule compound
N-(4-chlorophenyl)-3-(3-methoxypropyl)-2,8-dimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL166013
SMILES COCCCN1C(=S)NC2C(C1(C)Oc1c2cc(cc1)C)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 C23H26ClN3O3S MW 460.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3O3S/c1-14-5-10-18-17(13-14)20-19(21(28)25-16-8-6-15(24)7-9-16)23(2,30-18)27(22(31)26-20)11-4-12-29-3/h5-10,13,19-20H,4,11-12H2,1-3H3,(H,25,28)(H,26,31)InChIKey
RFOBTFSSMXJEAO-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)OC3(C(C2NC(=S)N3CCCOC)C(=O)NC4=CC=C(C=C4)Cl)C
InChI=1SC23H26ClN3O3Sc1145101817(1314)2019(21(28)25168615(24)7916)23(23018)27(22(31)2620)11412293h510131920H41112H213H3(H2528)(H2631)
MFCD15085958
N(4chlorophenyl)3(3methoxypropyl)28dimethyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
ZINC000169692852
ZINC000242648741
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