Vitas-M small molecule compound
2-nitro-N-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
Catalog ID
STK184489
SMILES S=C(NC(=O)c1ccccc1[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 C20H13N5O4S MW 419.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13N5O4S/c26-18(14-3-1-2-4-16(14)25(27)28)24-20(30)22-13-5-6-17-15(11-13)23-19(29-17)12-7-9-21-10-8-12/h1-11H,(H2,22,24,26,30)InChIKey
OLGRLNHDJDDNAF-UHFFFAOYSA-NSynonyms
2NITRON((2(PYRIDIN4YL)13BENZOXAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
2NITRON((2PYRIDIN4YL13BENZOXAZOL5YL)CARBAMOTHIOYL)BENZAMIDE
C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)(N+)(=O)(O)
InChI=1SC20H13N5O4Sc2618(14312416(14)25(27)28)2420(30)2213561715(1113)2319(2917)12792110812h111H(H222242630)
MFCD02821726
S=C(NC(=O)c1ccccc1(N+)(=O)(O))Nc1ccc2c(c1)nc(o2)c1ccncc1
ZINC000002984884
ZINC02984884
ZINC2984884
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