Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Catalog ID
STL135098
SMILES CCn1c2nnc(n2c2c(c1=O)scc2)CCCC(=O)NCc1ccc2c(c1)OCO2
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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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-2-25-20(28)19-14(8-9-31-19)26-17(23-24-21(25)26)4-3-5-18(27)22-11-13-6-7-15-16(10-13)30-12-29-15/h6-10H,2-5,11-12H2,1H3,(H,22,27)InChIKey
VTJHDDGVGJOICY-UHFFFAOYSA-NSynonyms
CCN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NCC4=CC5=C(C=C4)OCO5
InChI=1SC21H21N5O4Sc122520(28)1914(893119)2617(232421(25)26)43518(27)221113671516(1013)30122915h610H251112H21H3(H2227)
MFCD14902201
N(13benzodioxol5ylmethyl)4(4ethyl5oxo45dihydrothieno(23e)(124)triazolo(43a)pyrimidin1yl)butanamide
ZINC000009431376
ZINC9431376
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