Vitas-M small molecule compound
1-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-7,7-dimethyl-4-(3-methylphenyl)-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
STK543420
SMILES C/C(=C/CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)(C)C)/Cl
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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 C23H23ClN4O2S2 MW 487.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4O2S2/c1-13-6-5-7-15(10-13)27-19(29)18-16-11-23(3,4)30-12-17(16)32-20(18)28-21(27)25-26-22(28)31-9-8-14(2)24/h5-8,10H,9,11-12H2,1-4H3/b14-8-InChIKey
QIWWVHJNQGCDCF-ZSOIEALJSA-NSynonyms
488103-81-7(Z)1((3chlorobut2en1yl)thio)77dimethyl4(mtolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
1(((2Z)3chlorobut2en1yl)sulfanyl)77dimethyl4(3methylphenyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
488103817
CC(=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)(C)C)Cl
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC=C(C)Cl)SC5=C3CC(OC5)(C)C
InChI=1SC23H23ClN4O2S2c11365715(1013)2719(29)18161123(34)301217(16)3220(18)2821(27)252622(28)319814(2)24h5810H91112H214H3b148
MFCD03288794
ZINC000013563489
ZINC13563489
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