Vitas-M small molecule compound

ethyl (2Z)-2-[(3-chloro-5-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK075302
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1c(Cl)nn(c1C)c1ccccc1)/s2

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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 C27H23ClN4O3S MW 519.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O3S/c1-4-35-26(34)22-16(2)29-27-31(23(22)18-11-7-5-8-12-18)25(33)21(36-27)15-20-17(3)32(30-24(20)28)19-13-9-6-10-14-19/h5-15,23H,4H2,1-3H3/b21-15-
InChIKey
ITLDJXPOJKJKCQ-QNGOZBTKSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1c(Cl)nn(c1C)c1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=C(N(N=C4Cl)C5=CC=CC=C5)C)S2)C
ETHYL(2Z)2((3CHLORO5METHYL1PHENYL1HPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2((3CHLORO5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H23ClN4O3Sc143526(34)2216(2)292731(23(22)18117581218)25(33)21(3627)152017(3)32(3024(20)28)191396101419h51523H4H213H3b2115
MFCD03183901
STK075302
ZINC000009659746
ZINC000013899241

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Available files

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