Vitas-M small molecule compound
ethyl 8-bromo-3-(3-methoxypropyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092805
SMILES COCCCN1C(=S)NC2C(C1(C)Oc1c2cc(cc1)Br)C(=O)OCC
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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 C18H23BrN2O4S MW 443.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23BrN2O4S/c1-4-24-16(22)14-15-12-10-11(19)6-7-13(12)25-18(14,2)21(17(26)20-15)8-5-9-23-3/h6-7,10,14-15H,4-5,8-9H2,1-3H3,(H,20,26)InChIKey
YJNQRKOBHMJYRC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=C(C=CC(=C3)Br)OC1(N(C(=S)N2)CCCOC)C
ethyl8bromo3(3methoxypropyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC18H23BrN2O4Sc142416(22)1415121011(19)6713(12)2518(142)21(17(26)2015)859233h67101415H4589H213H3(H2026)
MFCD04445095
ZINC000102734153
ZINC000102734155
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