Vitas-M small molecule compound
2-{[4-amino-3-(4-ethylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl]carbonyl}-N-(4-ethylphenyl)hydrazinecarbothioamide
Catalog ID
STL133959
SMILES CCc1ccc(cc1)NC(=S)NNC(=O)c1sc(=S)n(c1N)c1ccc(cc1)CC
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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 C21H23N5OS3 MW 457.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5OS3/c1-3-13-5-9-15(10-6-13)23-20(28)25-24-19(27)17-18(22)26(21(29)30-17)16-11-7-14(4-2)8-12-16/h5-12H,3-4,22H2,1-2H3,(H,24,27)(H2,23,25,28)InChIKey
VBWRCRDEDZZESO-UHFFFAOYSA-NSynonyms
1((4AMINO3(4ETHYLPHENYL)2SULFANYLIDENE13THIAZOLE5CARBONYL)AMINO)3(4ETHYLPHENYL)THIOUREA
2((4amino3(4ethylphenyl)2thioxo23dihydro13thiazol5yl)carbonyl)N(4ethylphenyl)hydrazinecarbothioamide
CCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(N(C(=S)S2)C3=CC=C(C=C3)CC)N
InChI=1SC21H23N5OS3c13135915(10613)2320(28)252419(27)1718(22)26(21(29)3017)1611714(42)81216h512H3422H212H3(H2427)(H2232528)
MFCD15090482
ZINC000003026965
ZINC3026965
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