Vitas-M small molecule compound
1-(3-chloro-2-methylphenyl)-3-{(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(pyridin-3-ylmethyl)amino]methylidene}thiourea
Catalog ID
STL482223
SMILES S=C(Nc1cccc(c1C)Cl)/N=C(\Nc1nc(C)cc(n1)C)/NCc1cccnc1
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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 C21H22ClN7S MW 439.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN7S/c1-13-10-14(2)26-20(25-13)28-19(24-12-16-6-5-9-23-11-16)29-21(30)27-18-8-4-7-17(22)15(18)3/h4-11H,12H2,1-3H3,(H3,24,25,26,27,28,29,30)InChIKey
NFAAWDYSPQEQCO-UHFFFAOYSA-NSynonyms
(Z)1(3CHLORO2METHYLPHENYL)3((46DIMETHYLPYRIMIDIN2YLAMINO)(PYRIDIN3YLMETHYLAMINO)METHYLENE)THIOUREA
1(3chloro2methylphenyl)3((Z)((46dimethylpyrimidin2yl)amino)((pyridin3ylmethyl)amino)methylidene)thiourea
1(3CHLORO2METHYLPHENYL)3(N(46DIMETHYLPYRIMIDIN2YL)N(PYRIDIN3YLMETHYL)CARBAMIMIDOYL)THIOUREA
CC1=CC(=NC(=N1)NC(=NCC2=CN=CC=C2)NC(=S)NC3=C(C(=CC=C3)Cl)C)C
InChI=1SC21H22ClN7Sc1131014(2)2620(2513)2819(241216659231116)2921(30)271884717(22)15(18)3h411H12H213H3(H324252627282930)
MFCD05993230
S=C(Nc1cccc(c1C)Cl)N=C(Nc1nc(C)cc(n1)C)NCc1cccnc1
ZINC000008776552
ZINC08776552
ZINC8776552
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