Vitas-M small molecule compound
4-chloro-N-[1-(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-3-methylbutyl]benzamide
Catalog ID
STL122323
SMILES CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1C(NC(=O)c1ccc(cc1)Cl)CC(C)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 C25H27ClN6O2S MW 511.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN6O2S/c1-4-32-22(20(13-15(2)3)28-23(33)16-9-11-17(26)12-10-16)30-31-25(32)35-14-21-27-19-8-6-5-7-18(19)24(34)29-21/h5-12,15,20H,4,13-14H2,1-3H3,(H,28,33)(H,27,29,34)InChIKey
CTBPSFRZUKYHBD-UHFFFAOYSA-NSynonyms
4chloroN(1(4ethyl5(((4oxo34dihydroquinazolin2yl)methyl)sulfanyl)4H124triazol3yl)3methylbutyl)benzamide
4chloroN(1(4ethyl5((4oxo1Hquinazolin2yl)methylsulfanyl)124triazol3yl)3methylbutyl)benzamide
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C(CC(C)C)NC(=O)C4=CC=C(C=C4)Cl
CCn1c(SCc2nc3ccccc3c(=O)(nH)2)nnc1C(NC(=O)c1ccc(cc1)Cl)CC(C)C
InChI=1SC25H27ClN6O2Sc143222(20(1315(2)3)2823(33)1691117(26)121016)303125(32)3514212719865718(19)24(34)2921h5121520H41314H213H3(H2833)(H272934)
MFCD18435236
ZINC000067189993
ZINC000067189994
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