Vitas-M small molecule compound
ethyl 4-amino-2-({[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)pyrimidine-5-carboxylate
Catalog ID
STK129540
SMILES CCOC(=O)c1cnc(nc1N)SCc1nc(N)nc(n1)Nc1ccccc1
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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 C17H18N8O2S MW 398.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N8O2S/c1-2-27-14(26)11-8-20-17(24-13(11)18)28-9-12-22-15(19)25-16(23-12)21-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,18,20,24)(H3,19,21,22,23,25)InChIKey
RRXYXSMOOQIPTM-UHFFFAOYSA-NSynonyms
700862-36-8CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N
ETHYL4AMINO2((((6Z)4AMINO6(PHENYLIMINO)16DIHYDRO135TRIAZIN2YL)METHYL)SULFANYL)PYRIMIDINE5CARBOXYLATE
ETHYL4AMINO2(((4AMINO6(PHENYLAMINO)135TRIAZIN2YL)METHYL)SULFANYL)PYRIMIDINE5CARBOXYLATE
ethyl4amino2(((4amino6(phenylamino)135triazin2yl)methyl)thio)pyrimidine5carboxylate
ETHYL4AMINO2(((4AMINO6ANILINO135TRIAZIN2YL)METHYL)THIO)5PYRIMIDINECARBOXYLATE
ETHYL4AMINO2((4AMINO6(PHENYLAMINO)(135TRIAZIN2YL))METHYLTHIO)PYRIMIDINE5CARBOXYLATE
ETHYL4AMINO2((4AMINO6ANILINO135TRIAZIN2YL)METHYLSULFANYL)PYRIMIDINE5CARBOXYLATE
InChI=1SC17H18N8O2Sc122714(26)1182017(2413(11)18)289122215(19)2516(2312)21106435710h38H29H21H3(H2182024)(H31921222325)
MFCD03903882
ZINC02846324
ZINC2846324
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