Vitas-M small molecule compound
ethyl 1,3-dithiolan-2-ylidene(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)acetate
Catalog ID
STK046435
SMILES CCOC(=O)C(=C1SCCS1)c1nn2c(s1)nc(cc2=O)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 C13H13N3O3S3 MW 355.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3S3/c1-3-19-11(18)9(12-20-4-5-21-12)10-15-16-8(17)6-7(2)14-13(16)22-10/h6H,3-5H2,1-2H3InChIKey
ORCXQJXORFWBTK-UHFFFAOYSA-NSynonyms
ALPHA(13DITHIOLANE2YLIDENE)5OXO7METHYL5H134THIADIAZOLO(32A)PYRIMIDINE2ACETICACIDETHYLESTER
CCOC(=O)C(=C1SCCS1)c1nn2c(s1)nc(cc2=O)C
CCOC(=O)C(=C1SCCS1)C2=NN3C(=O)C=C(N=C3S2)C
ETHYL13DITHIOLAN2YLIDENE(7METHYL5OXO5H(134)THIADIAZOLO(32A)PYRIMIDIN2YL)ACETATE
ETHYL2(13DITHIOLAN2YLIDENE)2(7METHYL5OXO(134)THIADIAZOLO(32A)PYRIMIDIN2YL)ACETATE
InChI=1SC13H13N3O3S3c131911(18)9(1220452112)1015168(17)67(2)1413(16)2210h6H35H212H3
MFCD01929524
STK046435
ZINC000006891625
ZINC06891625
ZINC6891625
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