Vitas-M small molecule compound
2-chloro-N-{[5-({2-[(4-iodo-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK142123
SMILES O=C(Nc1ccc(cc1C)I)CSc1nnc(n1C)CNC(=O)c1ccccc1Cl
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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/c1-12-9-13(22)7-8-16(12)24-18(28)11-30-20-26-25-17(27(20)2)10-23-19(29)14-5-3-4-6-15(14)21/h3-9H,10-11H2,1-2H3,(H,23,29)(H,24,28)InChIKey
JBRLLBQTLMPHPA-UHFFFAOYSA-NSynonyms
2CHLORON((5((2((4IODO2METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
2CHLORON((5(2(4IODO2METHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=C(C=CC(=C1)I)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3Cl
InChI=1SC20H19ClIN5O2Sc112913(22)7816(12)2418(28)113020262517(27(20)2)102319(29)14534615(14)21h39H1011H212H3(H2329)(H2428)
MFCD04215043
ZINC000001111699
ZINC1111699
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