Vitas-M small molecule compound

ethyl (2Z)-2-(1-heptyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK794242
SMILES CCCCCCCN1c2ccccc2/C(=c\2/sc3=NC(=C(C(n3c2=O)/C=C/c2ccccc2)C(=O)OCC)C)/C1=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 C33H35N3O4S MW 569.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O4S/c1-4-6-7-8-14-21-35-25-18-13-12-17-24(25)28(30(35)37)29-31(38)36-26(20-19-23-15-10-9-11-16-23)27(32(39)40-5-2)22(3)34-33(36)41-29/h9-13,15-20,26H,4-8,14,21H2,1-3H3/b20-19+,29-28-
InChIKey
NJYKBGJKTFTXRY-UBQRJGJPSA-N
Synonyms

(Z)ethyl2(1heptyl2oxoindolin3ylidene)7methyl3oxo5((E)styryl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C=CC5=CC=CC=C5)C1=O
CCCCCCCN1c2ccccc2C(=c2sc3=NC(=C(C(n3c2=O)C=Cc2ccccc2)C(=O)OCC)C)C1=O
ethyl(2Z)2(1heptyl2oxo12dihydro3Hindol3ylidene)7methyl3oxo5((E)2phenylethenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2(1HEPTYL2OXOINDOL3YLIDENE)7METHYL3OXO5((E)2PHENYLETHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC33H35N3O4Sc14678142135251813121724(25)28(30(35)37)2931(38)3626(20192315109111623)27(32(39)4052)22(3)3433(36)4129h913152026H481421H213H3b2019+2928
MFCD01950892
ZINC000102309187
ZINC000102309190

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Available files

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