Vitas-M small molecule compound

[4-(4-tert-butylphenyl)-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl](phenyl)methanone

Catalog ID
STK536555
SMILES O=C(C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)C(C)(C)C)c1ccccc1)c1ccc(cc1)[N+](=O)[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 C38H31N5O3S MW 637.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H31N5O3S/c1-37(2,3)28-20-18-26(19-21-28)34-32-16-10-11-17-33(32)38(41(39-34)29-14-8-5-9-15-29)42(30-22-24-31(25-23-30)43(45)46)40-36(47-38)35(44)27-12-6-4-7-13-27/h4-25H,1-3H3
InChIKey
ZMOZWAIKYWVLCU-UHFFFAOYSA-N
Synonyms

(4(4(tertbutyl)phenyl)3(4nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazol)5yl)(phenyl)methanone
(4(4tertbutylphenyl)3(4nitrophenyl)2phenyl2H3Hspiro(phthalazine12(134)thiadiazol)5yl)(phenyl)methanone
(4(4TERTBUTYLPHENYL)4(4NITROPHENYL)2PHENYLSPIRO(134THIADIAZOLE51PHTHALAZINE)2YL)PHENYLMETHANONE
CC(C)(C)C1=CC=C(C=C1)C2=NN(C3(C4=CC=CC=C42)N(N=C(S3)C(=O)C5=CC=CC=C5)C6=CC=C(C=C6)(N+)(=O)(O))C7=CC=CC=C7
InChI=1SC38H31N5O3Sc137(23)28201826(192128)34321610111733(32)38(41(3934)29148591529)42(30222431(252330)43(45)46)4036(4738)35(44)27126471327h425H13H3
MFCD02237070
O=C(C1=NN(C2(S1)N(N=C(c1c2cccc1)c1ccc(cc1)C(C)(C)C)c1ccccc1)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
ZINC000150417711
ZINC000150417722

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Available files

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