Vitas-M small molecule compound
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK782129
SMILES CCNc1nc(NCC)nc2n1c(SCC(=O)c1cccc(c1)[N+](=O)[O-])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 C16H18N8O3S MW 402.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N8O3S/c1-3-17-13-19-14(18-4-2)23-15(20-13)21-22-16(23)28-9-12(25)10-6-5-7-11(8-10)24(26)27/h5-8H,3-4,9H2,1-2H3,(H2,17,18,19,20,21)InChIKey
YNYKGDOMVCBUIC-UHFFFAOYSA-NSynonyms
2((57bis(ethylamino)(124)triazolo(43a)(135)triazin3yl)sulfanyl)1(3nitrophenyl)ethanone
CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCNc1nc(NCC)nc2n1c(SCC(=O)c1cccc(c1)(N+)(=O)(O))nn2
InChI=1SC16H18N8O3Sc1317131914(1842)2315(2013)212216(23)28912(25)1065711(810)24(26)27h58H349H212H3(H21718192021)
MFCD02660160
ZINC000008871571
ZINC08871571
ZINC8871571
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