Vitas-M small molecule compound

ethyl (2Z)-2-({1-[2-(diethylamino)-2-oxoethyl]-1H-indol-3-yl}methylidene)-3-oxo-7-phenyl-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL440434
SMILES CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)/c(=C/c1cn(c3c1cccc3)CC(=O)N(CC)CC)/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 C34H32N4O4S2 MW 624.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N4O4S2/c1-4-36(5-2)28(39)21-37-20-23(24-15-10-11-16-25(24)37)19-27-32(40)38-31(26-17-12-18-43-26)29(33(41)42-6-3)30(35-34(38)44-27)22-13-8-7-9-14-22/h7-20,31H,4-6,21H2,1-3H3/b27-19-
InChIKey
ZESHKESRDYJEFW-DIBXZPPDSA-N
Synonyms

CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=O)N4C(C(=C(N=C4S3)C5=CC=CC=C5)C(=O)OCC)C6=CC=CS6
CCOC(=O)C1=C(N=c2n(C1c1cccs1)c(=O)c(=Cc1cn(c3c1cccc3)CC(=O)N(CC)CC)s2)c1ccccc1
ethyl(2Z)2((1(2(diethylamino)2oxoethyl)1Hindol3yl)methylidene)3oxo7phenyl5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((1(2(DIETHYLAMINO)2OXOETHYL)INDOL3YL)METHYLIDENE)3OXO7PHENYL5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC34H32N4O4S2c1436(52)28(39)21372023(241510111625(24)37)192732(40)3831(261712184326)29(33(41)4263)30(3534(38)4427)22138791422h72031H4621H213H3b2719
MFCD06244582
ZINC000008756520
ZINC000008756524

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Available files

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