Vitas-M small molecule compound
N-[(2Z)-5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamide
Catalog ID
STK632757
SMILES Fc1ccccc1CSc1n[nH]/c(=N/C(=O)C2=C(SCCO2)c2ccccc2)/s1
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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 C20H16FN3O2S3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN3O2S3/c21-15-9-5-4-8-14(15)12-28-20-24-23-19(29-20)22-18(25)16-17(27-11-10-26-16)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,22,23,25)InChIKey
VDXDSXOCGGLPIH-UHFFFAOYSA-NSynonyms
1010881-86-31010881863
C1CSC(=C(O1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3F)C4=CC=CC=C4
Fc1ccccc1CSc1n(nH)c(=NC(=O)C2=C(SCCO2)c2ccccc2)s1
InChI=1SC20H16FN3O2S3c2115954814(15)122820242319(2920)2218(25)1617(2711102616)136213713h19H1012H2(H222325)
MFCD18159879
N((2Z)5((2fluorobenzyl)sulfanyl)134thiadiazol2(3H)ylidene)3phenyl56dihydro14oxathiine2carboxamide
N(5((2fluorophenyl)methylsulfanyl)134thiadiazol2yl)5phenyl23dihydro14oxathiine6carboxamide
ZINC000012391039
ZINC12391039
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