Vitas-M small molecule compound

5-methyl-N-(4-{(1E)-1-[2-(9H-xanthen-9-ylcarbonyl)hydrazinylidene]ethyl}phenyl)-1,2-oxazole-3-carboxamide

Catalog ID
STK429519
SMILES O=C(C1c2ccccc2Oc2c1cccc2)N/N=C(/c1ccc(cc1)NC(=O)c1noc(c1)C)\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 C27H22N4O4 MW 466.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4/c1-16-15-22(31-35-16)26(32)28-19-13-11-18(12-14-19)17(2)29-30-27(33)25-20-7-3-5-9-23(20)34-24-10-6-4-8-21(24)25/h3-15,25H,1-2H3,(H,28,32)(H,30,33)/b29-17+
InChIKey
HHSMJJMAEDVCQB-STBIYBPSSA-N
Synonyms

5methylN(4((1E)1(2(9Hxanthen9ylcarbonyl)hydrazinylidene)ethyl)phenyl)12oxazole3carboxamide
5methylN(4((E)CmethylN(9Hxanthene9carbonylamino)carbonimidoyl)phenyl)12oxazole3carboxamide
5METHYLN(4(N(9HXANTHEN9YLCARBONYL)ETHANEHYDRAZONOYL)PHENYL)3ISOXAZOLECARBOXAMIDE
CC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)C(=NNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C
InChI=1SC27H22N4O4c1161522(313516)26(32)2819131118(121419)17(2)293027(33)2520735923(20)34241064821(24)25h31525H12H3(H2832)(H3033)b2917+
MFCD03234009
N(4((1E)1METHYL2(XANTHEN9YLCARBONYLAMINO)2AZAVINYL)PHENYL)(5METHYLISOXAZOL3YL)CARBOXAMIDE
O=C(C1c2ccccc2Oc2c1cccc2)NN=C(c1ccc(cc1)NC(=O)c1noc(c1)C)C
ZINC000001003457
ZINC33291388

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Available files

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