Vitas-M small molecule compound
2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL181732
SMILES S=C1NC2c3ccccc3OC(N1)(C2C(=O)N)C
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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 C12H13N3O2S MW 263.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S/c1-12-8(10(13)16)9(14-11(18)15-12)6-4-2-3-5-7(6)17-12/h2-5,8-9H,1H3,(H2,13,16)(H2,14,15,18)InChIKey
LLGXLATYNRJHFH-UHFFFAOYSA-NSynonyms
1263035-25-11263035251
2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC12C(C(C3=CC=CC=C3O1)NC(=S)N2)C(=O)N
InChI=1SC12H13N3O2Sc1128(10(13)16)9(1411(18)1512)642357(6)1712h2589H1H3(H21316)(H2141518)
MFCD20760106
ZINC000106222842
ZINC000226441256
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