Vitas-M small molecule compound
methyl 2-{[4-(3-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}propanoate
Catalog ID
STK829822
SMILES COC(=O)C(Sc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCCC3)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 C22H22N4O3S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S2/c1-12-7-6-8-14(11-12)25-18(27)17-15-9-4-5-10-16(15)31-19(17)26-21(25)23-24-22(26)30-13(2)20(28)29-3/h6-8,11,13H,4-5,9-10H2,1-3H3InChIKey
VRTXVHZPCPVGLK-UHFFFAOYSA-NSynonyms
384349-35-3384349353
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SC(C)C(=O)OC)SC5=C3CCCC5
InChI=1SC22H22N4O3S2c11276814(1112)2518(27)17159451016(15)3119(17)2621(25)232422(26)3013(2)20(28)293h681113H45910H213H3
methyl2((4(3methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)propanoate
methyl2((5oxo4(mtolyl)456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)propanoate
MFCD03285145
ZINC000001282596
ZINC000001282597
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