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-phenylethanone
Catalog ID
STK551342
SMILES CCCCOc1ccc(cc1)c1nc(SCC(=O)c2ccccc2)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 C29H30N2O3S2 MW 518.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O3S2/c1-4-5-15-33-21-13-11-20(12-14-21)26-30-27(35-18-23(32)19-9-7-6-8-10-19)25-22-16-29(2,3)34-17-24(22)36-28(25)31-26/h6-14H,4-5,15-18H2,1-3H3InChIKey
XYEXWNOKESPWPO-UHFFFAOYSA-NSynonyms
799795-94-12((2(4butoxyphenyl)66dimethyl58dihydro6Hpyrano(4345)thieno(23d)pyrimidin4yl)sulfanyl)1phenylethanone
2((2(4butoxyphenyl)66dimethyl58dihydropyrano(23)thieno(24b)pyrimidin4yl)sulfanyl)1phenylethanone
2((2(4butoxyphenyl)66dimethyl68dihydro5Hpyrano(4345)thieno(23d)pyrimidin4yl)thio)1phenylethanone
799795941
CCCCOC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC(=O)C5=CC=CC=C5
InChI=1SC29H30N2O3S2c145153321131120(121421)263027(351823(32)1997681019)25221629(23)341724(22)3628(25)3126h614H451518H213H3
MFCD03677473
ZINC000002221014
ZINC02221014
ZINC2221014
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