Vitas-M small molecule compound
diethyl 1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Catalog ID
STK999625
SMILES CCOC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)OCC)c1ccc(cc1)Br
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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 C23H22BrN3O4S2 MW 548.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3O4S2/c1-4-30-21(28)19-15(3)26(17-9-7-6-8-10-17)23(32-19)27(18-13-11-16(24)12-14-18)25-20(33-23)22(29)31-5-2/h6-14H,4-5H2,1-3H3InChIKey
AHOJYHJIGVPTNS-UHFFFAOYSA-NSynonyms
670263-89-5670263895
CCOC(=O)C1=C(N(C2(S1)N(N=C(S2)C(=O)OCC)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C
diethyl1(4bromophenyl)8methyl9phenyl46dithia129triazaspiro(44)nona27diene37dicarboxylate
diethyl4(4bromophenyl)8methyl9phenyl16dithia349triazaspiro(44)nona27diene27dicarboxylate
DIETHYL6(4BROMOPHENYL)2METHYL1PHENYL49DITHIA167TRIAZASPIRO(44)NONA27DIENE38DICARBOXYLATE
InChI=1SC23H22BrN3O4S2c143021(28)1915(3)26(1797681017)23(3219)27(18131116(24)121418)2520(3323)22(29)3152h614H45H213H3
MFCD03670930
ZINC000002202930
ZINC000002202932
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