Vitas-M small molecule compound
2-methyl-3-nitro-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK184487
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])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 C21H15N5O4S MW 433.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O4S/c1-12-15(3-2-4-17(12)26(28)29)19(27)25-21(31)23-14-5-6-18-16(11-14)24-20(30-18)13-7-9-22-10-8-13/h2-11H,1H3,(H2,23,25,27,31)InChIKey
AUUFLQDEIOFWJK-UHFFFAOYSA-NSynonyms
2METHYL3NITRON((2(PYRIDIN4YL)13BENZOXAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
2METHYL3NITRON((2PYRIDIN4YL13BENZOXAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4
InChI=1SC21H15N5O4Sc11215(32417(12)26(28)29)19(27)2521(31)2314561816(1114)2420(3018)13792210813h211H1H3(H223252731)
MFCD03138069
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1ccc2c(c1)nc(o2)c1ccncc1
ZINC000002847914
ZINC02847914
ZINC2847914
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