Vitas-M small molecule compound
[3-(4-ethylphenyl)-2-methyl-4-thioxo-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl](thiophen-2-yl)methanone
Catalog ID
STL094514
SMILES CCc1ccc(cc1)N1C(=S)N(C2CC1(C)Oc1c2cccc1)C(=O)c1cccs1
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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 C24H22N2O2S2 MW 434.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O2S2/c1-3-16-10-12-17(13-11-16)26-23(29)25(22(27)21-9-6-14-30-21)19-15-24(26,2)28-20-8-5-4-7-18(19)20/h4-14,19H,3,15H2,1-2H3InChIKey
FSFOGEMUCZJEKW-UHFFFAOYSA-NSynonyms
(3(4ethylphenyl)2methyl4thioxo34dihydro2H26methano135benzoxadiazocin5(6H)yl)(thiophen2yl)methanone
CCC1=CC=C(C=C1)N2C(=S)N(C3CC2(OC4=CC=CC=C34)C)C(=O)C5=CC=CS5
InChI=1SC24H22N2O2S2c1316101217(131116)2623(29)25(22(27)2196143021)191524(262)2820854718(19)20h41419H315H212H3
MFCD14741433
ZINC000100287886
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