Vitas-M small molecule compound
2-amino-4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK782876
SMILES N#CC1=C(N)OC2=C(C1c1sc(c(c1)CSc1nnc(s1)N)C)C(=O)CCC2
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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 C18H17N5O2S3 MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O2S3/c1-8-9(7-26-18-23-22-17(21)28-18)5-13(27-8)14-10(6-19)16(20)25-12-4-2-3-11(24)15(12)14/h5,14H,2-4,7,20H2,1H3,(H2,21,22)InChIKey
MJCRESAMIYNEML-UHFFFAOYSA-NSynonyms
2amino4(4(((5amino134thiadiazol2yl)sulfanyl)methyl)5methylthiophen2yl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(4((5amino134thiadiazol2yl)sulfanylmethyl)5methylthiophen2yl)5oxo4678tetrahydrochromene3carbonitrile
CC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)CSC4=NN=C(S4)N
InChI=1SC18H17N5O2S3c189(72618232217(21)2818)513(278)1410(619)16(20)251242311(24)15(12)14h514H24720H21H3(H22122)
MFCD06617081
ZINC000012372413
ZINC000012372414
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