Vitas-M small molecule compound
4-bromo-2-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenyl benzoate
Catalog ID
STK961953
SMILES NC(=S)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1
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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 C15H12BrN3O2S MW 378.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrN3O2S/c16-12-6-7-13(11(8-12)9-18-19-15(17)22)21-14(20)10-4-2-1-3-5-10/h1-9H,(H3,17,19,22)/b18-9+InChIKey
DXDKWXLSAGJSRJ-GIJQJNRQSA-NSynonyms
494758-26-8(4BROMO2((E)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)PHENYL)BENZOATE
2(2(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)4BROMOPHENYLBENZOATE
494758268
4BROMO2((2CARBAMOTHIOYLHYDRAZONO)METHYL)PHENYLBENZOATE
4bromo2((E)(2carbamothioylhydrazinylidene)methyl)phenylbenzoate
C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)N
InChI=1SC15H12BrN3O2Sc16126713(11(812)9181915(17)22)2114(20)104213510h19H(H3171922)b189+
MFCD02604984
NC(=S)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1
ZINC000000657791
ZINC33332960
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