Vitas-M small molecule compound

N-(4-ethoxyphenyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide

Catalog ID
STK555736
SMILES CCOc1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

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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 C27H29N5O3S2 MW 535.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3S2/c1-2-35-18-9-7-17(8-10-18)30-21(33)15-36-27-24-23(28-16-29-27)22-19-5-3-4-6-20(19)25(31-26(22)37-24)32-11-13-34-14-12-32/h7-10,16H,2-6,11-15H2,1H3,(H,30,33)
InChIKey
CWURPVZQAMZZGW-UHFFFAOYSA-N
Synonyms
843615-97-4
843615974
CCOC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2SC4=NC(=C5CCCCC5=C34)N6CCOCC6
InChI=1SC27H29N5O3S2c1235189717(81018)3021(33)1536272423(28162927)2219534620(19)25(3126(22)3724)32111334141232h71016H261115H21H3(H3033)
MFCD04013214
N(4ethoxyphenyl)2((5(morpholin4yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)acetamide
N(4ethoxyphenyl)2((5morpholino1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)acetamide
ZINC000097952986
ZINC97952986

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Available files

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