Vitas-M small molecule compound
1-[4-(4-chlorophenyl)-3'-(2-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethanone
Catalog ID
STK535966
SMILES Clc1ccc(cc1)C1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccccc1[N+](=O)[O-])C(=O)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 C29H20ClN5O3S MW 554.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20ClN5O3S/c1-19(36)28-32-34(25-13-7-8-14-26(25)35(37)38)29(39-28)24-12-6-5-11-23(24)27(20-15-17-21(30)18-16-20)31-33(29)22-9-3-2-4-10-22/h2-18H,1H3InChIKey
XGKNNTDLIPBGJC-UHFFFAOYSA-NSynonyms
1(4(4chlorophenyl)3(2nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazol)5yl)ethanone
1(4(4CHLOROPHENYL)4(2NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2YL)ETHANONE
CC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C6=CC=CC=C6(N+)(=O)(O)
Clc1ccc(cc1)C1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccccc1(N+)(=O)(O))C(=O)C
InChI=1SC29H20ClN5O3Sc119(36)283234(2513781426(25)35(37)38)29(3928)2412651123(24)27(20151721(30)181620)3133(29)2293241022h218H1H3
MFCD01575603
ZINC000102417526
ZINC000102417528
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