Vitas-M small molecule compound
methyl 6-amino-4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STK783324
SMILES COC(=O)C1=C(C)OC(=C(C1c1cc(c(s1)C)CSc1nnc(s1)N)C#N)N
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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 C17H17N5O3S3 MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O3S3/c1-7-12(15(23)24-3)13(10(5-18)14(19)25-7)11-4-9(8(2)27-11)6-26-17-22-21-16(20)28-17/h4,13H,6,19H2,1-3H3,(H2,20,21)InChIKey
VVGNCWLEQMKPMM-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(S2)C)CSC3=NN=C(S3)N)C(=O)OC
InChI=1SC17H17N5O3S3c1712(15(23)243)13(10(518)14(19)257)1149(8(2)2711)62617222116(20)2817h413H619H213H3(H22021)
methyl6amino4(4(((5amino134thiadiazol2yl)sulfanyl)methyl)5methylthiophen2yl)5cyano2methyl4Hpyran3carboxylate
METHYL6AMINO4(4((5AMINO134THIADIAZOL2YL)SULFANYLMETHYL)5METHYLTHIOPHEN2YL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
MFCD06618059
ZINC000012372407
ZINC000012372408
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