Vitas-M small molecule compound
propan-2-yl 3-[({[4-methyl-5-({[(2-methylphenyl)carbonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK139851
SMILES O=C(Nc1cccc(c1)C(=O)OC(C)C)CSc1nnc(n1C)CNC(=O)c1ccccc1C
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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 C24H27N5O4S MW 481.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O4S/c1-15(2)33-23(32)17-9-7-10-18(12-17)26-21(30)14-34-24-28-27-20(29(24)4)13-25-22(31)19-11-6-5-8-16(19)3/h5-12,15H,13-14H2,1-4H3,(H,25,31)(H,26,30)InChIKey
ZCPYVNYBRMGRCT-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)OC(C)C
InChI=1SC24H27N5O4Sc115(2)3323(32)17971018(1217)2621(30)143424282720(29(24)4)132522(31)191165816(19)3h51215H1314H214H3(H2531)(H2630)
MFCD03998008
PROPAN2YL3((((4METHYL5((((2METHYLPHENYL)CARBONYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((4METHYL5(((2METHYLBENZOYL)AMINO)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000001143855
ZINC01143855
ZINC1143855
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