Vitas-M small molecule compound
2-[(4-bromobenzyl)sulfanyl]-3-(4-ethoxyphenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK720607
SMILES CCOc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CC(C)(C)OCc1s2
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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 C26H25BrN2O3S2 MW 557.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN2O3S2/c1-4-31-19-11-9-18(10-12-19)29-24(30)22-20-13-26(2,3)32-14-21(20)34-23(22)28-25(29)33-15-16-5-7-17(27)8-6-16/h5-12H,4,13-15H2,1-3H3InChIKey
DWBDTJNIWYZFCW-UHFFFAOYSA-NSynonyms
2((4bromobenzyl)sulfanyl)3(4ethoxyphenyl)66dimethyl3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2((4bromobenzyl)thio)3(4ethoxyphenyl)66dimethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2((4bromophenyl)methylsulfanyl)3(4ethoxyphenyl)66dimethyl58dihydropyrano(23)thieno(24b)pyrimidin4one
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)Br)SC5=C3CC(OC5)(C)C
InChI=1SC26H25BrN2O3S2c14311911918(101219)2924(30)22201326(23)321421(20)3423(22)2825(29)3315165717(27)8616h512H41315H213H3
MFCD04008842
ZINC000002591468
ZINC2591468
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