Vitas-M small molecule compound

methyl 2-{[4-(methylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]sulfanyl}propanoate

Catalog ID
STK779154
SMILES COC(=O)C(Sc1nc(nc(n1)NC)N1CCOCC1)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 C12H19N5O3S MW 313.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H19N5O3S/c1-8(9(18)19-3)21-12-15-10(13-2)14-11(16-12)17-4-6-20-7-5-17/h8H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKey
XQVYBEIHPRKJAL-UHFFFAOYSA-N
Synonyms

CC(C(=O)OC)SC1=NC(=NC(=N1)NC)N2CCOCC2
InChI=1SC12H19N5O3Sc18(9(18)193)21121510(132)1411(1612)1746207517h8H47H213H3(H13141516)
methyl2((4(methylamino)6(morpholin4yl)135triazin2yl)sulfanyl)propanoate
METHYL2((4(METHYLAMINO)6MORPHOLIN4YL135TRIAZIN2YL)SULFANYL)PROPANOATE
METHYL2(4(METHYLAMINO)6MORPHOLIN4YL135TRIAZIN2YLTHIO)PROPANOATE
MFCD05241271
ZINC000000610031
ZINC000000610032

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.