Vitas-M small molecule compound
N-{[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-methyl-3-nitrobenzamide
Catalog ID
STK184493
SMILES COc1ccc(cc1Cl)c1oc2c(n1)cc(cc2)NC(=S)NC(=O)c1cccc(c1C)[N+](=O)[O-]
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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 C23H17ClN4O5S MW 496.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O5S/c1-12-15(4-3-5-18(12)28(30)31)21(29)27-23(34)25-14-7-9-20-17(11-14)26-22(33-20)13-6-8-19(32-2)16(24)10-13/h3-11H,1-2H3,(H2,25,27,29,34)InChIKey
ZYBNBKJSNFPSLA-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)OC)Cl
COc1ccc(cc1Cl)c1oc2c(n1)cc(cc2)NC(=S)NC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC23H17ClN4O5Sc11215(43518(12)28(30)31)21(29)2723(34)2514792017(1114)2622(3320)136819(322)16(24)1013h311H12H3(H225272934)
MFCD03138188
N((2(3CHLORO4METHOXYPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
ZINC000002852201
ZINC02852201
ZINC2852201
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