Vitas-M small molecule compound
4-benzyl-1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK722428
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC(OC3)(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 C27H23BrN4O3S2 MW 595.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrN4O3S2/c1-27(2)12-19-21(14-35-27)37-24-22(19)23(34)31(13-16-6-4-3-5-7-16)25-29-30-26(32(24)25)36-15-20(33)17-8-10-18(28)11-9-17/h3-11H,12-15H2,1-2H3InChIKey
YODWOEOTZXTAIL-UHFFFAOYSA-NSynonyms
4benzyl1((2(4bromophenyl)2oxoethyl)sulfanyl)77dimethyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4benzyl1((2(4bromophenyl)2oxoethyl)thio)77dimethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Br)CC6=CC=CC=C6)C
InChI=1SC27H23BrN4O3S2c127(2)121921(143527)372422(19)23(34)31(13166435716)25293026(32(24)25)361520(33)1781018(28)11917h311H1215H212H3
MFCD01559282
ZINC000002183141
ZINC02183141
ZINC2183141
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