Vitas-M small molecule compound

2-(6-bromo-1,3-benzodioxol-5-yl)-7-tert-butyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

Catalog ID
STK382638
SMILES O=C1NC(Nc2c1c1CCC(Cc1s2)C(C)(C)C)c1cc2OCOc2cc1Br

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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 C21H23BrN2O3S MW 463.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O3S/c1-21(2,3)10-4-5-11-16(6-10)28-20-17(11)19(25)23-18(24-20)12-7-14-15(8-13(12)22)27-9-26-14/h7-8,10,18,24H,4-6,9H2,1-3H3,(H,23,25)
InChIKey
XQDHJLRVTCYWLP-UHFFFAOYSA-N
Synonyms

2(6bromo13benzodioxol5yl)7tertbutyl235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
2(6bromo13benzodioxol5yl)7tertbutyl235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC5=C(C=C4Br)OCO5
InChI=1SC21H23BrN2O3Sc121(23)10451116(610)282017(11)19(25)2318(2420)1271415(813(12)22)2792614h78101824H469H213H3(H2325)
MFCD03037633
ZINC000017085912
ZINC000017085915

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Available files

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