Vitas-M small molecule compound
4-ethyl-5'-(4-nitrophenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]
Catalog ID
STL019078
SMILES CCC1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccccc1)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 C29H23N5O2S MW 505.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O2S/c1-2-27-25-15-9-10-16-26(25)29(32(30-27)22-11-5-3-6-12-22)33(23-13-7-4-8-14-23)31-28(37-29)21-17-19-24(20-18-21)34(35)36/h3-20H,2H2,1H3InChIKey
GCRNUHJCCFMUFE-UHFFFAOYSA-NSynonyms
524032-77-74ethyl5(4nitrophenyl)23diphenyl2H3Hspiro(phthalazine12(134)thiadiazole)
4ETHYL5(4NITROPHENYL)23DIPHENYLSPIRO(134THIADIAZOLE21PHTHALAZINE)
524032777
CCC1=NN(C2(C3=CC=CC=C31)N(N=C(S2)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5)C6=CC=CC=C6
CCC1=NN(c2ccccc2)C2(c3c1cccc3)SC(=NN2c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC29H23N5O2Sc122725159101626(25)29(32(3027)22115361222)33(23137481423)3128(3729)21171924(201821)34(35)36h320H2H21H3
MFCD03614800
ZINC000009329919
ZINC000013658369
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