Vitas-M small molecule compound
methyl 4-[({8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetyl)amino]benzoate
Catalog ID
STL105758
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1nc2n(c1=O)ccnc2Sc1ccc(cc1C)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 C23H21N5O4S MW 463.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O4S/c1-14-4-9-18(15(2)12-14)33-21-20-26-28(23(31)27(20)11-10-24-21)13-19(29)25-17-7-5-16(6-8-17)22(30)32-3/h4-12H,13H2,1-3H3,(H,25,29)InChIKey
UQGRCEDBXJWHNM-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)SC2=NC=CN3C2=NN(C3=O)CC(=O)NC4=CC=C(C=C4)C(=O)OC)C
InChI=1SC23H21N5O4Sc1144918(15(2)1214)3321202628(23(31)27(20)11102421)1319(29)25177516(6817)22(30)323h412H13H213H3(H2529)
methyl4(((8((24dimethylphenyl)sulfanyl)3oxo(124)triazolo(43a)pyrazin2(3H)yl)acetyl)amino)benzoate
methyl4((2(8(24dimethylphenyl)sulfanyl3oxo(124)triazolo(43a)pyrazin2yl)acetyl)amino)benzoate
MFCD20736949
ZINC000067255667
ZINC67255667
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