Vitas-M small molecule compound
methyl 2-chloro-5-[({[4-ethyl-5-(2-methyl-1-{[(4-methylphenyl)carbonyl]amino}propyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK139941
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(n1CC)C(C(C)C)NC(=O)c1ccc(cc1)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 C26H30ClN5O4S MW 544.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClN5O4S/c1-6-32-23(22(15(2)3)29-24(34)17-9-7-16(4)8-10-17)30-31-26(32)37-14-21(33)28-18-11-12-20(27)19(13-18)25(35)36-5/h7-13,15,22H,6,14H2,1-5H3,(H,28,33)(H,29,34)InChIKey
PVPXMIXSDQDNEF-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)C(C(C)C)NC(=O)C3=CC=C(C=C3)C
InChI=1SC26H30ClN5O4Sc163223(22(15(2)3)2924(34)179716(4)81017)303126(32)371421(33)2818111220(27)19(1318)25(35)365h7131522H614H215H3(H2833)(H2934)
METHYL2CHLORO5((((4ETHYL5(2METHYL1(((4METHYLPHENYL)CARBONYL)AMINO)PROPYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2CHLORO5((2((4ETHYL5(2METHYL1((4METHYLBENZOYL)AMINO)PROPYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD04212747
ZINC000059587864
ZINC000059587870
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