Vitas-M small molecule compound
butyl 6-chloro-2-thioxo-1,3-benzoxazole-3(2H)-carboxylate
Catalog ID
STK805602
SMILES CCCCOC(=O)n1c(=S)oc2c1ccc(c2)Cl
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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 C12H12ClNO3S MW 285.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12ClNO3S/c1-2-3-6-16-11(15)14-9-5-4-8(13)7-10(9)17-12(14)18/h4-5,7H,2-3,6H2,1H3InChIKey
SERKGZVEUSVOMO-UHFFFAOYSA-NSynonyms
49740-32-149740321
6CHLORO2THIOXOBENZOOXAZOLE3CARBOXYLICACIDBUTYLESTER
BENZOXAZOLE3CARBOXYLICACID23DIHYDRO6CHLORO2THIOXOBUTYLESTER
BUTYL6CHLORO2SULFANYLIDENE13BENZOXAZOLE3CARBOXYLATE
butyl6chloro2thioxo13benzoxazole3(2H)carboxylate
butyl6chloro2thioxobenzo(d)oxazole3(2H)carboxylate
CCCCOC(=O)N1C2=C(C=C(C=C2)Cl)OC1=S
InChI=1SC12H12ClNO3Sc12361611(15)149548(13)710(9)1712(14)18h457H236H21H3
MFCD00441191
ZINC000002024992
ZINC02024992
ZINC2024992
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