Vitas-M small molecule compound
2-{[4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-4,5,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Catalog ID
STK805077
SMILES COc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CC(C)(C)OCc1s2)SCC(=O)N
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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 C21H21N5O4S2 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S2/c1-21(2)8-13-14(9-30-21)32-18-16(13)17(28)25(11-4-6-12(29-3)7-5-11)19-23-24-20(26(18)19)31-10-15(22)27/h4-7H,8-10H2,1-3H3,(H2,22,27)InChIKey
NSWJXVGFQXRJML-UHFFFAOYSA-NSynonyms
351385-64-32((4(4methoxyphenyl)77dimethyl5oxo4569tetrahydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetamide
2((4(4methoxyphenyl)77dimethyl5oxo5679tetrahydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetamide
351385643
CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)N)C5=CC=C(C=C5)OC)C
InChI=1SC21H21N5O4S2c121(2)81314(93021)321816(13)17(28)25(114612(293)7511)19232420(26(18)19)311015(22)27h47H810H213H3(H22227)
MFCD01877451
ZINC000002183415
ZINC02183415
ZINC2183415
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