Vitas-M small molecule compound
1-ethyl-N-(2-methoxyethyl)-4-(4-oxo-2-sulfanyl-6,7,8,9-tetrahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-1H-pyrazole-3-carboxamide
Catalog ID
STK447519
SMILES COCCNC(=O)c1nn(cc1n1c(S)nc2c(c1=O)c1CCCCCc1s2)CC
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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 C20H25N5O3S2 MW 447.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O3S2/c1-3-24-11-13(16(23-24)17(26)21-9-10-28-2)25-19(27)15-12-7-5-4-6-8-14(12)30-18(15)22-20(25)29/h11H,3-10H2,1-2H3,(H,21,26)(H,22,29)InChIKey
IYCJHKHRXIWPMU-UHFFFAOYSA-NSynonyms
1ethylN(2methoxyethyl)4(4oxo2sulfanyl6789tetrahydro4Hcyclohepta(45)thieno(23d)pyrimidin3(5H)yl)1Hpyrazole3carboxamide
1ethylN(2methoxyethyl)4(4oxo2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin3yl)pyrazole3carboxamide
CCN1C=C(C(=N1)C(=O)NCCOC)N2C(=O)C3=C(NC2=S)SC4=C3CCCCC4
InChI=1SC20H25N5O3S2c13241113(16(2324)17(26)21910282)2519(27)15127546814(12)3018(15)2220(25)29h11H310H212H3(H2126)(H2229)
MFCD04059667
ZINC000019646456
ZINC19646456
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