Vitas-M small molecule compound
2-chloro-N-{1-[5-({2-[(4-iodophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK142053
SMILES O=C(Nc1ccc(cc1)I)CSc1nnc(n1C)C(NC(=O)c1ccccc1Cl)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 C20H19ClIN5O2S MW 555.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClIN5O2S/c1-12(23-19(29)15-5-3-4-6-16(15)21)18-25-26-20(27(18)2)30-11-17(28)24-14-9-7-13(22)8-10-14/h3-10,12H,11H2,1-2H3,(H,23,29)(H,24,28)InChIKey
IJKZTVMUFAIMGH-UHFFFAOYSA-NSynonyms
2CHLORON(1(5((2((4IODOPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2CHLORON(1(5(2(4IODOANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)I)NC(=O)C3=CC=CC=C3Cl
InChI=1SC20H19ClIN5O2Sc112(2319(29)15534616(15)21)18252620(27(18)2)301117(28)24149713(22)81014h31012H11H212H3(H2329)(H2428)
MFCD04213778
ZINC000001127414
ZINC000001127416
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