Vitas-M small molecule compound
N-(5-ethoxy-1,3-benzothiazol-2-yl)-2-[6-methyl-5,7-dioxo-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
Catalog ID
STL084557
SMILES CCOc1ccc2c(c1)nc(s2)NC(=O)Cn1c(=O)n(C)c(=O)c2c1nc(s2)N1CCCC1
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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 C21H22N6O4S2 MW 486.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4S2/c1-3-31-12-6-7-14-13(10-12)22-19(32-14)23-15(28)11-27-17-16(18(29)25(2)21(27)30)33-20(24-17)26-8-4-5-9-26/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,22,23,28)InChIKey
NCVJAFZSCSPBBK-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C4=C(C(=O)N(C3=O)C)SC(=N4)N5CCCC5
InChI=1SC21H22N6O4S2c133112671413(1012)2219(3214)2315(28)11271716(18(29)25(2)21(27)30)3320(2417)26845926h6710H358911H212H3(H222328)
MFCD18203121
N(5ethoxy13benzothiazol2yl)2(6methyl57dioxo2(pyrrolidin1yl)67dihydro(13)thiazolo(45d)pyrimidin4(5H)yl)acetamide
N(5ethoxy13benzothiazol2yl)2(6methyl57dioxo2pyrrolidin1yl(13)thiazolo(45d)pyrimidin4yl)acetamide
ZINC000067239685
ZINC67239685
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