Vitas-M small molecule compound
2-{[2-(4-butoxyphenyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK550630
SMILES CCCCOc1ccc(cc1)c1nc(SCC(=O)c2ccc(cc2)[N+](=O)[O-])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 C29H29N3O5S2 MW 563.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O5S2/c1-4-5-14-36-21-12-8-19(9-13-21)26-30-27(38-17-23(33)18-6-10-20(11-7-18)32(34)35)25-22-15-29(2,3)37-16-24(22)39-28(25)31-26/h6-13H,4-5,14-17H2,1-3H3InChIKey
HMHZKTWXTXZFTE-UHFFFAOYSA-NSynonyms
2((2(4butoxyphenyl)66dimethyl58dihydro6Hpyrano(4345)thieno(23d)pyrimidin4yl)sulfanyl)1(4nitrophenyl)ethanone
2((2(4butoxyphenyl)66dimethyl58dihydropyrano(23)thieno(24b)pyrimidin4yl)sulfanyl)1(4nitrophenyl)ethanone
2((2(4butoxyphenyl)66dimethyl68dihydro5Hpyrano(4345)thieno(23d)pyrimidin4yl)thio)1(4nitrophenyl)ethanone
CCCCOC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
CCCCOc1ccc(cc1)c1nc(SCC(=O)c2ccc(cc2)(N+)(=O)(O))c2c(n1)sc1c2CC(OC1)(C)C
InChI=1SC29H29N3O5S2c14514362112819(91321)263027(381723(33)1861020(11718)32(34)35)25221529(23)371624(22)3928(25)3126h613H451417H213H3
MFCD03682428
ZINC000001869229
ZINC01869229
ZINC1869229
Check stock
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Check stock on Vitas-MAvailable files
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