Vitas-M small molecule compound

methyl 2-chloro-5-[({[5-(morpholin-4-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STL380931
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CSc1nnc(n1c1ccccc1)CN1CCOCC1

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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 C23H24ClN5O4S MW 501.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN5O4S/c1-32-22(31)18-13-16(7-8-19(18)24)25-21(30)15-34-23-27-26-20(14-28-9-11-33-12-10-28)29(23)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,25,30)
InChIKey
YPLFLHYEROKNHB-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCOCC4)Cl
InChI=1SC23H24ClN5O4Sc13222(31)181316(7819(18)24)2521(30)153423272620(142891133121028)29(23)175324617h2813H9121415H21H3(H2530)
methyl2chloro5((((5(morpholin4ylmethyl)4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL2CHLORO5((2((5(MORPHOLIN4YLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06621099
ZINC000019799455
ZINC19799455

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Available files

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