Vitas-M small molecule compound
2-{[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide
Catalog ID
STK768799
SMILES CCNc1nc(NCC)nc2n1c(SCC(=O)Nc1ccc(cc1[N+](=O)[O-])OCC)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 C18H23N9O4S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N9O4S/c1-4-19-15-22-16(20-5-2)26-17(23-15)24-25-18(26)32-10-14(28)21-12-8-7-11(31-6-3)9-13(12)27(29)30/h7-9H,4-6,10H2,1-3H3,(H,21,28)(H2,19,20,22,23,24)InChIKey
FDWPJFXKEJZDPT-UHFFFAOYSA-NSynonyms
2((57bis(ethylamino)(124)triazolo(43a)(135)triazin3yl)sulfanyl)N(4ethoxy2nitrophenyl)acetamide
2(57BIS(ETHYLAMINO)(124TRIAZOLO(45A)135TRIAZIN3YLTHIO))N(4ETHOXY2NITROPHENYL)ACETAMIDE
CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=C(C=C(C=C3)OCC)(N+)(=O)(O)
CCNc1nc(NCC)nc2n1c(SCC(=O)Nc1ccc(cc1(N+)(=O)(O))OCC)nn2
InChI=1SC18H23N9O4Sc1419152216(2052)2617(2315)242518(26)321014(28)21128711(3163)913(12)27(29)30h79H4610H213H3(H2128)(H21920222324)
MFCD03308047
ZINC000008856157
ZINC08856157
ZINC8856157
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