Vitas-M small molecule compound
2-chloro-N-{4-[5-({2-[(2,6-diethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide
Catalog ID
STK135268
SMILES CCc1cccc(c1NC(=O)CSc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccccc1Cl)CC
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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 C28H28ClN5O2S MW 534.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClN5O2S/c1-4-18-9-8-10-19(5-2)25(18)31-24(35)17-37-28-33-32-26(34(28)3)20-13-15-21(16-14-20)30-27(36)22-11-6-7-12-23(22)29/h6-16H,4-5,17H2,1-3H3,(H,30,36)(H,31,35)InChIKey
YHZBUHJVZSURBZ-UHFFFAOYSA-NSynonyms
2CHLORON(4(5((2((26DIETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)PHENYL)BENZAMIDE
2CHLORON(4(5(2(26DIETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)PHENYL)BENZAMIDE
CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl
InChI=1SC28H28ClN5O2Sc1418981019(52)25(18)3124(35)173728333226(34(28)3)20131521(161420)3027(36)2211671223(22)29h616H4517H213H3(H3036)(H3135)
MFCD04208910
ZINC000002997952
ZINC2997952
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