Vitas-M small molecule compound
ethyl 8-bromo-2-methyl-3-phenyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092810
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Br)cc1)c1ccccc1
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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 C20H19BrN2O3S MW 447.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O3S/c1-3-25-18(24)16-17-14-11-12(21)9-10-15(14)26-20(16,2)23(19(27)22-17)13-7-5-4-6-8-13/h4-11,16-17H,3H2,1-2H3,(H,22,27)InChIKey
VBPINBKWMAXGNM-UHFFFAOYSA-NSynonyms
1005038-11-81005038118
CCOC(=O)C1C2C3=C(C=CC(=C3)Br)OC1(N(C(=S)N2)C4=CC=CC=C4)C
ethyl8bromo2methyl3phenyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC20H19BrN2O3Sc132518(24)1617141112(21)91015(14)2620(162)23(19(27)2217)137546813h4111617H3H212H3(H2227)
MFCD04445083
ZINC000100029513
ZINC000100029515
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