Vitas-M small molecule compound
N-{[4-(4-chlorophenoxy)phenyl]carbamothioyl}-4-methyl-3-nitrobenzamide
Catalog ID
STK013777
SMILES S=C(NC(=O)c1ccc(c(c1)[N+](=O)[O-])C)Nc1ccc(cc1)Oc1ccc(cc1)Cl
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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 C21H16ClN3O4S MW 441.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O4S/c1-13-2-3-14(12-19(13)25(27)28)20(26)24-21(30)23-16-6-10-18(11-7-16)29-17-8-4-15(22)5-9-17/h2-12H,1H3,(H2,23,24,26,30)InChIKey
VXZGCUNGGKQWAD-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC21H16ClN3O4Sc1132314(1219(13)25(27)28)20(26)2421(30)231661018(11716)29178415(22)5917h212H1H3(H223242630)
MFCD02631908
N((4(4CHLOROPHENOXY)PHENYL)CARBAMOTHIOYL)4METHYL3NITROBENZAMIDE
S=C(NC(=O)c1ccc(c(c1)(N+)(=O)(O))C)Nc1ccc(cc1)Oc1ccc(cc1)Cl
STK013777
ZINC000001172389
ZINC01172389
ZINC1172389
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