Vitas-M small molecule compound

ethyl (2Z)-2-[4-(dimethylamino)benzylidene]-3-oxo-5,7-diphenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK042270
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(cc1)N(C)C)/s2)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 C30H27N3O3S MW 509.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O3S/c1-4-36-29(35)25-26(21-11-7-5-8-12-21)31-30-33(27(25)22-13-9-6-10-14-22)28(34)24(37-30)19-20-15-17-23(18-16-20)32(2)3/h5-19,27H,4H2,1-3H3/b24-19-
InChIKey
GRIIHXCIHDNGAX-CLCOLTQESA-N
Synonyms

CCOC(=O)C1=C(N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(cc1)N(C)C)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)N(C)C)S2)C5=CC=CC=C5
ethyl(2Z)2((4(dimethylamino)phenyl)methylidene)3oxo57diphenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((4DIMETHYLAMINOPHENYL)METHYLIDENE)3OXO57DIPHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(4(DIMETHYLAMINO)BENZYLIDENE)3OXO57DIPHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC30H27N3O3Sc143629(35)2526(21117581221)313033(27(25)221396101422)28(34)24(3730)1920151723(181620)32(2)3h51927H4H213H3b2419
MFCD05037987
STK042270
ZINC000009246812
ZINC000009246813

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Available files

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