Vitas-M small molecule compound
N-(4-methylphenyl)-2-[(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Catalog ID
STK542455
SMILES O=C(Nc1ccc(cc1)C)CSc1nnc2n1c(C)nc1c2c2CC(C)(C)OCc2s1
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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 C22H23N5O2S2 MW 453.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S2/c1-12-5-7-14(8-6-12)24-17(28)11-30-21-26-25-19-18-15-9-22(3,4)29-10-16(15)31-20(18)23-13(2)27(19)21/h5-8H,9-11H2,1-4H3,(H,24,28)InChIKey
GGQWHJPLLIESES-UHFFFAOYSA-NSynonyms
497076-60-5497076605
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)COC(C5)(C)C)C
InChI=1SC22H23N5O2S2c1125714(8612)2417(28)1130212625191815922(34)291016(15)3120(18)2313(2)27(19)21h58H911H214H3(H2428)
MFCD03299232
N(4methylphenyl)2((51010trimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetamide
N(ptolyl)2((51010trimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)acetamide
ZINC000001303945
ZINC01303945
ZINC1303945
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