Vitas-M small molecule compound
methyl 9-methyl-2-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)methyl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL177093
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)Cn1cnc2c(c1=O)c1CCCCc1s2
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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 C21H18N6O3S2 MW 466.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O3S2/c1-10-14-17-24-13(25-27(17)9-23-18(14)32-16(10)21(29)30-2)7-26-8-22-19-15(20(26)28)11-5-3-4-6-12(11)31-19/h8-9H,3-7H2,1-2H3InChIKey
JZTMRLOKZQHWSJ-UHFFFAOYSA-NSynonyms
828298-34-6828298346
CC1=C(SC2=C1C3=NC(=NN3C=N2)CN4C=NC5=C(C4=O)C6=C(S5)CCCC6)C(=O)OC
InChI=1SC21H18N6O3S2c11014172413(2527(17)92318(14)3216(10)21(29)302)7268221915(20(26)28)11534612(11)3119h89H37H212H3
methyl9methyl2((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)methyl)thieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
MFCD04132914
ZINC000002798600
ZINC02798600
ZINC2798600
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