Vitas-M small molecule compound
3-benzyl-5-(3,4-diethoxyphenyl)-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Catalog ID
STK773764
SMILES CCOc1cc(ccc1OCC)c1[nH]c(=O)c2c(n1)n(Cc1ccccc1)c(=S)s2
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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 C22H21N3O3S2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S2/c1-3-27-16-11-10-15(12-17(16)28-4-2)19-23-20-18(21(26)24-19)30-22(29)25(20)13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,23,24,26)InChIKey
RSEPBPGAKNVOTR-UHFFFAOYSA-NSynonyms
3BENZYL5(34DIETHOXYPHENYL)2SULFANYLIDENE4H(13)THIAZOLO(45D)PYRIMIDIN7ONE
3benzyl5(34diethoxyphenyl)2thioxo23dihydro(13)thiazolo(45d)pyrimidin7(6H)one
CCOC1=C(C=C(C=C1)C2=NC(=O)C3=C(N2)N(C(=S)S3)CC4=CC=CC=C4)OCC
CCOc1cc(ccc1OCC)c1(nH)c(=O)c2c(n1)n(Cc1ccccc1)c(=S)s2
InChI=1SC22H21N3O3S2c132716111015(1217(16)2842)19232018(21(26)2419)3022(29)25(20)13148657914h512H3413H212H3(H232426)
MFCD03855579
ZINC000001080782
ZINC01080782
ZINC1080782
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