Vitas-M small molecule compound
2-{[5-benzyl-6-hydroxy-1-(4-methoxyphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Catalog ID
STK565175
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)Br)nc(=O)c(c1O)Cc1ccccc1
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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 C26H22BrN3O4S MW 552.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN3O4S/c1-34-21-13-11-20(12-14-21)30-25(33)22(15-17-5-3-2-4-6-17)24(32)29-26(30)35-16-23(31)28-19-9-7-18(27)8-10-19/h2-14,33H,15-16H2,1H3,(H,28,31)InChIKey
OSSLRVPNWZFIKZ-UHFFFAOYSA-NSynonyms
2((5benzyl6hydroxy1(4methoxyphenyl)4oxo14dihydropyrimidin2yl)sulfanyl)N(4bromophenyl)acetamide
2(5BENZYL6HYDROXY1(4METHOXYPHENYL)4OXOPYRIMIDIN2YL)SULFANYLN(4BROMOPHENYL)ACETAMIDE
COC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Br)CC4=CC=CC=C4)O
InChI=1SC26H22BrN3O4Sc13421131120(121421)3025(33)22(15175324617)24(32)2926(30)351623(31)28199718(27)81019h21433H1516H21H3(H2831)
MFCD03806314
ZINC000102533109
ZINC102533109
ZINC1306274
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