Vitas-M small molecule compound
4-[(4-bromobenzyl)sulfanyl]-2-(4-butoxyphenyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Catalog ID
STK582124
SMILES CCCCOc1ccc(cc1)c1nc(SCc2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)C
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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 C28H29BrN2O2S2 MW 569.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrN2O2S2/c1-4-5-14-32-21-12-8-19(9-13-21)25-30-26(34-17-18-6-10-20(29)11-7-18)24-22-15-28(2,3)33-16-23(22)35-27(24)31-25/h6-13H,4-5,14-17H2,1-3H3InChIKey
TWEDYZNQMFQCPF-UHFFFAOYSA-NSynonyms
4((4bromobenzyl)sulfanyl)2(4butoxyphenyl)66dimethyl58dihydro6Hpyrano(4345)thieno(23d)pyrimidine
4((4bromobenzyl)thio)2(4butoxyphenyl)66dimethyl68dihydro5Hpyrano(4345)thieno(23d)pyrimidine
4((4bromophenyl)methylsulfanyl)2(4butoxyphenyl)66dimethyl58dihydropyrano(23)thieno(24b)pyrimidine
CCCCOC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC5=CC=C(C=C5)Br
InChI=1SC28H29BrN2O2S2c14514322112819(91321)253026(34171861020(29)11718)24221528(23)331623(22)3527(24)3125h613H451417H213H3
MFCD03682472
ZINC000102592671
ZINC102592671
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