Vitas-M small molecule compound
(2E)-3-(5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid
Catalog ID
STK574028
SMILES CC1CCc2c(C1)c1c(s2)nc(n2c1nc(n2)/C=C/C(=O)O)C
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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 C16H16N4O2S MW 328.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O2S/c1-8-3-4-11-10(7-8)14-15-18-12(5-6-13(21)22)19-20(15)9(2)17-16(14)23-11/h5-6,8H,3-4,7H2,1-2H3,(H,21,22)/b6-5+InChIKey
WKTBFGYDYQTBOJ-AATRIKPKSA-NSynonyms
899402-19-8(2E)3(510dimethyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidin2yl)prop2enoicacid
(E)3(510dimethyl891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(15c)pyrimidin2yl)acrylicacid
899402198
CC1CCC2=C(C1)C3=C(S2)N=C(N4C3=NC(=N4)C=CC(=O)O)C
CC1CCc2c(C1)c1c(s2)nc(n2c1nc(n2)C=CC(=O)O)C
InChI=1SC16H16N4O2Sc18341110(78)14151812(5613(21)22)1920(15)9(2)1716(14)2311h568H347H212H3(H2122)b65+
MFCD06607365
ZINC000002332462
ZINC000002332464
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