Vitas-M small molecule compound
5-({[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Catalog ID
STK776821
SMILES O=C(Nc1nn(nc1C(=O)N)c1ccccc1)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C21H19N7O3S2 MW 481.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N7O3S2/c22-17(30)16-18(27-28(26-16)11-6-2-1-3-7-11)23-14(29)10-32-21-24-19(31)15-12-8-4-5-9-13(12)33-20(15)25-21/h1-3,6-7H,4-5,8-10H2,(H2,22,30)(H,23,27,29)(H,24,25,31)InChIKey
IWFPEYSZRXHHCH-UHFFFAOYSA-NSynonyms
5((((4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)2phenyl2H123triazole4carboxamide
5((2((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)2phenyltriazole4carboxamide
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC(=O)NC4=NN(N=C4C(=O)N)C5=CC=CC=C5
InChI=1SC21H19N7O3S2c2217(30)1618(2728(2616)116213711)2314(29)1032212419(31)1512845913(12)3320(15)2521h1367H45810H2(H22230)(H232729)(H242531)
MFCD05259629
O=C(Nc1nn(nc1C(=O)N)c1ccccc1)CSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
ZINC000012377164
ZINC12377164
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