Vitas-M small molecule compound

1-(6-chloro-2-thioxo-1,3-benzoxazol-3(2H)-yl)butan-1-one

Catalog ID
STK670699
SMILES CCCC(=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 C11H10ClNO2S MW 255.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10ClNO2S/c1-2-3-10(14)13-8-5-4-7(12)6-9(8)15-11(13)16/h4-6H,2-3H2,1H3
InChIKey
QYLIYXRWRKKCGN-UHFFFAOYSA-N
Synonyms
31315-64-7
1(6CHLORO2SULFANYLIDENE13BENZOXAZOL3YL)BUTAN1ONE
1(6chloro2thioxo13benzoxazol3(2H)yl)butan1one
1(6CHLORO2THIOXO23DIHYDROBENZO(D)(13)OXAZOL3YL)1BUTANONE
1(6CHLORO2THIOXO3HYDROBENZOXAZOL3YL)BUTAN1ONE
1(6CHLORO2THIOXOBENZOOXAZOL3YL)BUTAN1ONE
31315647
3BUTYRYL6CHLORO13BENZOXAZOLE2(3H)THIONE
CCCC(=O)N1C2=C(C=C(C=C2)Cl)OC1=S
InChI=1SC11H10ClNO2Sc12310(14)138547(12)69(8)1511(13)16h46H23H21H3
MFCD00545398
ZINC000000060005
ZINC00060005
ZINC60005

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Available files

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