Vitas-M small molecule compound

ethyl 4-(4-tert-butylphenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

Catalog ID
STK537907
SMILES CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)C(C)(C)C)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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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 C34H31N5O4S MW 605.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N5O4S/c1-5-43-32(40)31-36-38(26-19-21-27(22-20-26)39(41)42)34(44-31)29-14-10-9-13-28(29)30(35-37(34)25-11-7-6-8-12-25)23-15-17-24(18-16-23)33(2,3)4/h6-22H,5H2,1-4H3
InChIKey
SALAEKHCSHNDJE-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)(N+)(=O)(O)
CCOC(=O)C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)C(C)(C)C)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ethyl4(4(tertbutyl)phenyl)3(4nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ethyl4(4tertbutylphenyl)3(4nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazole)5carboxylate
ETHYL4(4TERTBUTYLPHENYL)4(4NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2CARBOXYLATE
InChI=1SC34H31N5O4Sc154332(40)313638(26192127(222026)39(41)42)34(4431)29141091328(29)30(3537(34)25117681225)23151724(181623)33(23)4h622H5H214H3
MFCD02233580
ZINC000102421932
ZINC000102421936

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.