Vitas-M small molecule compound

(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-2-sulfanyl-1-(3,4,5-trimethoxyphenyl)pyrimidine-4,6(1H,5H)-dione

Catalog ID
STK564347
SMILES COc1cc(cc(c1OC)OC)N1C(=NC(=O)/C(=C/c2nc3c([nH]2)cccc3)/C1=O)S

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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 C21H18N4O5S MW 438.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5S/c1-28-15-8-11(9-16(29-2)18(15)30-3)25-20(27)12(19(26)24-21(25)31)10-17-22-13-6-4-5-7-14(13)23-17/h4-10H,1-3H3,(H,22,23)(H,24,26,31)/b12-10-
InChIKey
USKUEERLHLJYEG-BENRWUELSA-N
Synonyms

(5Z)5(1Hbenzimidazol2ylmethylidene)2sulfanyl1(345trimethoxyphenyl)pyrimidine46(1H5H)dione
(5Z)5(1HBENZIMIDAZOL2YLMETHYLIDENE)2SULFANYLIDENE1(345TRIMETHOXYPHENYL)13DIAZINANE46DIONE
COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=CC3=NC4=CC=CC=C4N3)C(=O)NC2=S
COc1cc(cc(c1OC)OC)N1C(=NC(=O)C(=Cc2nc3c((nH)2)cccc3)C1=O)S
InChI=1SC21H18N4O5Sc12815811(916(292)18(15)303)2520(27)12(19(26)2421(25)31)10172213645714(13)2317h410H13H3(H2223)(H242631)b1210
MFCD03815523
ZINC000009270658
ZINC09270658
ZINC9270658

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Available files

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