Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4,7,7-trimethyl-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
STK524541
SMILES Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C)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 C21H19ClN4O3S2 MW 474.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O3S2/c1-21(2)8-13-15(9-29-21)31-18-16(13)17(28)25(3)19-23-24-20(26(18)19)30-10-14(27)11-4-6-12(22)7-5-11/h4-7H,8-10H2,1-3H3InChIKey
KKQUQJWUIKCSGG-UHFFFAOYSA-NSynonyms
372974-24-81((2(4chlorophenyl)2oxoethyl)sulfanyl)477trimethyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)477trimethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
372974248
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Cl)C)C
InChI=1SC21H19ClN4O3S2c121(2)81315(92921)311816(13)17(28)25(3)19232420(26(18)19)301014(27)114612(22)7511h47H810H213H3
MFCD01953662
ZINC000002286596
ZINC02286596
ZINC2286596
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