Vitas-M small molecule compound
ethyl 2-methyl-3-(2-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094433
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1)c1ccccc1C
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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 C21H22N2O3S MW 382.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S/c1-4-25-19(24)17-18-14-10-6-8-12-16(14)26-21(17,3)23(20(27)22-18)15-11-7-5-9-13(15)2/h5-12,17-18H,4H2,1-3H3,(H,22,27)InChIKey
XLBXVFNMJVGBKI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=CC=CC=C3OC1(N(C(=S)N2)C4=CC=CC=C4C)C
ethyl2methyl3(2methylphenyl)4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC21H22N2O3Sc142519(24)17181410681216(14)2621(173)23(20(27)2218)151175913(15)2h5121718H4H213H3(H2227)
MFCD15085843
ZINC000100029645
ZINC000100029649
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