Vitas-M small molecule compound
4-ethoxy-3-nitro-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK184486
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccncc1
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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 C22H17N5O5S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O5S/c1-2-31-19-5-3-14(11-17(19)27(29)30)20(28)26-22(33)24-15-4-6-18-16(12-15)25-21(32-18)13-7-9-23-10-8-13/h3-12H,2H2,1H3,(H2,24,26,28,33)InChIKey
SRRUPZQHOIOSRM-UHFFFAOYSA-NSynonyms
4ETHOXY3NITRON((2(PYRIDIN4YL)13BENZOXAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
4ETHOXY3NITRON((2PYRIDIN4YL13BENZOXAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccncc1
InChI=1SC22H17N5O5Sc1231195314(1117(19)27(29)30)20(28)2622(33)2415461816(1215)2521(3218)13792310813h312H2H21H3(H224262833)
MFCD02820613
ZINC000002991363
ZINC02991363
ZINC2991363
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