Vitas-M small molecule compound

methyl 4-[({[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK682687
SMILES CCNc1nc(NCC)nc2n1c(SCC(=O)Nc1ccc(cc1)C(=O)OC)nn2

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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 C18H22N8O3S MW 430.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N8O3S/c1-4-19-15-22-16(20-5-2)26-17(23-15)24-25-18(26)30-10-13(27)21-12-8-6-11(7-9-12)14(28)29-3/h6-9H,4-5,10H2,1-3H3,(H,21,27)(H2,19,20,22,23,24)
InChIKey
XKCHSVXRFCDVIP-UHFFFAOYSA-N
Synonyms

CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC18H22N8O3Sc1419152216(2052)2617(2315)242518(26)301013(27)21128611(7912)14(28)293h69H4510H213H3(H2127)(H21920222324)
methyl4((((57bis(ethylamino)(124)triazolo(43a)(135)triazin3yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2((57BIS(ETHYLAMINO)(124)TRIAZOLO(43A)(135)TRIAZIN3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD03459615
ZINC000012412119
ZINC12412119

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Available files

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