Vitas-M small molecule compound
1-[6-({2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide
Catalog ID
STL084022
SMILES O=C(NCc1ccc2c(c1)OCO2)CSc1ncnc(c1)n1ccc(n1)C(=O)NC1CC1
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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 C21H20N6O4S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O4S/c28-19(22-9-13-1-4-16-17(7-13)31-12-30-16)10-32-20-8-18(23-11-24-20)27-6-5-15(26-27)21(29)25-14-2-3-14/h1,4-8,11,14H,2-3,9-10,12H2,(H,22,28)(H,25,29)InChIKey
WLXJYBPQKBATCW-UHFFFAOYSA-NSynonyms
1(6((2((13benzodioxol5ylmethyl)amino)2oxoethyl)sulfanyl)pyrimidin4yl)Ncyclopropyl1Hpyrazole3carboxamide
1(6(2(13benzodioxol5ylmethylamino)2oxoethyl)sulfanylpyrimidin4yl)Ncyclopropylpyrazole3carboxamide
C1CC1NC(=O)C2=NN(C=C2)C3=CC(=NC=N3)SCC(=O)NCC4=CC5=C(C=C4)OCO5
InChI=1SC21H20N6O4Sc2819(22913141617(713)31123016)103220818(23112420)276515(2627)21(29)25142314h1481114H2391012H2(H2228)(H2529)
MFCD18202592
ZINC000057520297
ZINC57520297
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