Vitas-M small molecule compound
2-bromo-N-[4-(4-methyl-5-{[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]benzamide
Catalog ID
STK147468
SMILES O=C(Nc1cccc2c1cccc2)CSc1nnc(n1C)c1ccc(cc1)NC(=O)c1ccccc1Br
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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 C28H22BrN5O2S MW 572.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrN5O2S/c1-34-26(19-13-15-20(16-14-19)30-27(36)22-10-4-5-11-23(22)29)32-33-28(34)37-17-25(35)31-24-12-6-8-18-7-2-3-9-21(18)24/h2-16H,17H2,1H3,(H,30,36)(H,31,35)InChIKey
AAAFOIIDEUGFPI-UHFFFAOYSA-NSynonyms
2BROMON(4(4METHYL5((2(1NAPHTHYLAMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)PHENYL)BENZAMIDE
2BROMON(4(4METHYL5((2(NAPHTHALEN1YLAMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)PHENYL)BENZAMIDE
2BROMON(4(4METHYL5(2(NAPHTHALEN1YLAMINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)PHENYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Br
InChI=1SC28H22BrN5O2Sc13426(19131520(161419)3027(36)2210451123(22)29)323328(34)371725(35)3124126818723921(18)24h216H17H21H3(H3036)(H3135)
MFCD04153219
ZINC000008438235
ZINC08438235
ZINC8438235
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