Vitas-M small molecule compound
methyl 2-chloro-5-[({[5-(1-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK125315
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(n1C)C(NC(=O)c1ccc(cc1)Cl)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 C22H21Cl2N5O4S MW 522.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2N5O4S/c1-12(25-20(31)13-4-6-14(23)7-5-13)19-27-28-22(29(19)2)34-11-18(30)26-15-8-9-17(24)16(10-15)21(32)33-3/h4-10,12H,11H2,1-3H3,(H,25,31)(H,26,30)InChIKey
IVCPQLJUTMMTLU-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)NC(=O)C3=CC=C(C=C3)Cl
InChI=1SC22H21Cl2N5O4Sc112(2520(31)134614(23)7513)19272822(29(19)2)341118(30)26158917(24)16(1015)21(32)333h41012H11H213H3(H2531)(H2630)
METHYL2CHLORO5((((5(1(((4CHLOROPHENYL)CARBONYL)AMINO)ETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2CHLORO5((2((5(1((4CHLOROBENZOYL)AMINO)ETHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04212932
ZINC000001122541
ZINC000001122543
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