Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanamide
Catalog ID
STK232498
SMILES N#Cc1c(sc2c1CCCC2)NC(=O)C(n1cnc2c1c(=O)n(C)c(=O)n2C)CC
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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 C20H22N6O3S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O3S/c1-4-13(26-10-22-16-15(26)19(28)25(3)20(29)24(16)2)17(27)23-18-12(9-21)11-7-5-6-8-14(11)30-18/h10,13H,4-8H2,1-3H3,(H,23,27)InChIKey
COYVWIOZEOVYNZ-UHFFFAOYSA-NSynonyms
847853-13-8847853138
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)N3C=NC4=C3C(=O)N(C(=O)N4C)C
InChI=1SC20H22N6O3Sc1413(2610221615(26)19(28)25(3)20(29)24(16)2)17(27)231812(921)11756814(11)3018h1013H48H213H3(H2327)
MFCD07130177
N(3cyano4567tetrahydro1benzothiophen2yl)2(13dimethyl26dioxo1236tetrahydro7Hpurin7yl)butanamide
N(3cyano4567tetrahydro1benzothiophen2yl)2(13dimethyl26dioxopurin7yl)butanamide
ZINC000009290293
ZINC000009290294
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