Vitas-M small molecule compound

methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(2-propoxyphenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK868768
SMILES CCCOc1ccccc1C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc3c(c1)OCO3)/s2)C(=O)OC

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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 C26H24N2O6S MW 492.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O6S/c1-4-11-32-18-8-6-5-7-17(18)23-22(25(30)31-3)15(2)27-26-28(23)24(29)21(35-26)13-16-9-10-19-20(12-16)34-14-33-19/h5-10,12-13,23H,4,11,14H2,1-3H3/b21-13-
InChIKey
QOJAQWGPWSNORD-BKUYFWCQSA-N
Synonyms

(E)methyl2(benzo(d)(13)dioxol5ylmethylene)7methyl3oxo5(2propoxyphenyl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCCOC1=CC=CC=C1C2C(=C(N=C3N2C(=O)C(=CC4=CC5=C(C=C4)OCO5)S3)C)C(=O)OC
CCCOc1ccccc1C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc3c(c1)OCO3)s2)C(=O)OC
InChI=1SC26H24N2O6Sc14113218865717(18)2322(25(30)313)15(2)272628(23)24(29)21(3526)13169101920(1216)34143319h510121323H41114H213H3b2113
methyl(2Z)2(13benzodioxol5ylmethylidene)7methyl3oxo5(2propoxyphenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)7METHYL3OXO5(2PROPOXYPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD18170042
ZINC000001836456
ZINC000001836458

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Available files

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