Vitas-M small molecule compound
4-(3-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-7-(propan-2-yl)-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
STK540588
SMILES CC(C1OCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccccc3)nnc2n(c1=O)c1cccc(c1)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 C28H26N4O3S2 MW 530.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3S2/c1-16(2)22-13-20-23(14-35-22)37-26-24(20)25(34)31(19-11-7-8-17(3)12-19)27-29-30-28(32(26)27)36-15-21(33)18-9-5-4-6-10-18/h4-12,16,22H,13-15H2,1-3H3InChIKey
DOWIWLCECPQTCQ-UHFFFAOYSA-NSynonyms
371129-36-1371129361
4(3methylphenyl)1((2oxo2phenylethyl)sulfanyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
7isopropyl1((2oxo2phenylethyl)thio)4(mtolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=CC=C5)SC6=C3CC(OC6)C(C)C
InChI=1SC28H26N4O3S2c116(2)22132023(143522)372624(20)25(34)31(19117817(3)1219)27293028(32(26)27)361521(33)1895461018h4121622H1315H213H3
MFCD03008203
ZINC000097951299
ZINC000097951300
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