Vitas-M small molecule compound
2-{(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl}-4-nitrophenyl 2-(acetylamino)-2-deoxyhexopyranoside
Catalog ID
STK891450
SMILES OCC1OC(Oc2ccc(cc2C(=O)/C=C/c2ccc(cc2)N(C)C)[N+](=O)[O-])C(C(C1O)O)NC(=O)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 C25H29N3O9 MW 515.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O9/c1-14(30)26-22-24(33)23(32)21(13-29)37-25(22)36-20-11-9-17(28(34)35)12-18(20)19(31)10-6-15-4-7-16(8-5-15)27(2)3/h4-12,21-25,29,32-33H,13H2,1-3H3,(H,26,30)/b10-6+InChIKey
OMUFEMGYFCVHKE-UXBLZVDNSA-NSynonyms
2((2E)3(4(dimethylamino)phenyl)prop2enoyl)4nitrophenyl2(acetylamino)2deoxyhexopyranoside
CC(=O)NC1C(C(C(OC1OC2=C(C=C(C=C2)(N+)(=O)(O))C(=O)C=CC3=CC=C(C=C3)N(C)C)CO)O)O
InChI=1SC25H29N3O9c114(30)262224(33)23(32)21(1329)3725(22)362011917(28(34)35)1218(20)19(31)106154716(8515)27(2)3h4122125293233H13H213H3(H2630)b106+
MFCD18172136
N(2(2((E)3(4(dimethylamino)phenyl)prop2enoyl)4nitrophenoxy)45dihydroxy6(hydroxymethyl)oxan3yl)acetamide
OCC1OC(Oc2ccc(cc2C(=O)C=Cc2ccc(cc2)N(C)C)(N+)(=O)(O))C(C(C1O)O)NC(=O)C
ZINC000230086318
ZINC000245256317
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