Vitas-M small molecule compound
(2Z)-2-[(4,6-dimethylpyrimidin-2-yl)imino]-6-hydroxy-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,3,4,5-tetrahydropyrimidine-4-carboxylic acid
Catalog ID
STL056866
SMILES OC1=N/C(=N\c2nc(C)cc(n2)C)/N(C(C1)C(=O)O)c1ccc(cc1)c1sc2c(n1)ccc(c2)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 C25H22N6O3S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N6O3S/c1-13-4-9-18-20(10-13)35-22(28-18)16-5-7-17(8-6-16)31-19(23(33)34)12-21(32)29-25(31)30-24-26-14(2)11-15(3)27-24/h4-11,19H,12H2,1-3H3,(H,33,34)(H,26,27,29,30,32)InChIKey
XGTUPMDABPQUNI-UHFFFAOYSA-NSynonyms
1038792-47-0(2Z)2((46dimethylpyrimidin2yl)imino)6hydroxy3(4(6methyl13benzothiazol2yl)phenyl)2345tetrahydropyrimidine4carboxylicacid
1038792470
2((46DIMETHYLPYRIMIDIN2YL)AMINO)3(4(6METHYL13BENZOTHIAZOL2YL)PHENYL)6OXO45DIHYDROPYRIMIDINE4CARBOXYLICACID
2((46DIMETHYLPYRIMIDIN2YL)AMINO)3(4(6METHYLBENZOTHIAZOL2YL)PHENYL)6OXO345TRIHYDROPYRIMIDINE4CARBOXYLICACID
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(CC(=O)N=C4NC5=NC(=CC(=N5)C)C)C(=O)O
InChI=1SC25H22N6O3Sc113491820(1013)3522(2818)165717(8616)3119(23(33)34)1221(32)2925(31)30242614(2)1115(3)2724h41119H12H213H3(H3334)(H2627293032)
MFCD05737321
OC1=NC(=Nc2nc(C)cc(n2)C)N(C(C1)C(=O)O)c1ccc(cc1)c1sc2c(n1)ccc(c2)C
Check stock
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Check stock on Vitas-MAvailable files
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