Vitas-M small molecule compound

phenyl (2E)-2-{3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK042800
SMILES COc1cc(cc(c1OCCOc1ccc(cc1)C)Cl)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Oc1ccccc1)C

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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 C37H31ClN2O6S MW 667.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31ClN2O6S/c1-23-14-16-27(17-15-23)44-18-19-45-34-29(38)20-25(21-30(34)43-3)22-31-35(41)40-33(26-10-6-4-7-11-26)32(24(2)39-37(40)47-31)36(42)46-28-12-8-5-9-13-28/h4-17,20-22,33H,18-19H2,1-3H3/b31-22+
InChIKey
GVBGJQJTXSKPBZ-DFKUXCBWSA-N
Synonyms

CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC5=CC=CC=C5)C6=CC=CC=C6)OC
COc1cc(cc(c1OCCOc1ccc(cc1)C)Cl)C=c1sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Oc1ccccc1)C
InChI=1SC37H31ClN2O6Sc123141627(171523)441819453429(38)2025(2130(34)433)223135(41)4033(26106471126)32(24(2)3937(40)4731)36(42)4628128591328h417202233H1819H213H3b3122+
MFCD03183851
PHENYL(2E)2((3CHLORO5METHOXY4(2(4METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PHENYL(2E)2(3CHLORO5METHOXY4(2(4METHYLPHENOXY)ETHOXY)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
STK042800
ZINC000097958572
ZINC000097958573

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Available files

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