Vitas-M small molecule compound
2-methyl-3-nitro-N-({4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)benzamide
Catalog ID
STK173877
SMILES S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1ccc(cc1)c1nc2c(o1)ccc(c2)C(C)C
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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 C25H22N4O4S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4S/c1-14(2)17-9-12-22-20(13-17)27-24(33-22)16-7-10-18(11-8-16)26-25(34)28-23(30)19-5-4-6-21(15(19)3)29(31)32/h4-14H,1-3H3,(H2,26,28,30,34)InChIKey
FUPUGCJCTSOEBA-UHFFFAOYSA-NSynonyms
2METHYL3NITRON((4(5(PROPAN2YL)13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
2METHYL3NITRON((4(5PROPAN2YL13BENZOXAZOL2YL)PHENYL)CARBAMOTHIOYL)BENZAMIDE
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C
InChI=1SC25H22N4O4Sc114(2)179122220(1317)2724(3322)1671018(11816)2625(34)2823(30)1954621(15(19)3)29(31)32h414H13H3(H226283034)
MFCD03141438
S=C(NC(=O)c1cccc(c1C)(N+)(=O)(O))Nc1ccc(cc1)c1nc2c(o1)ccc(c2)C(C)C
ZINC000002953899
ZINC02953899
ZINC2953899
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