Vitas-M small molecule compound
N-(4-methoxyphenyl)-2-[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]hydrazinecarbothioamide
Catalog ID
STL079772
SMILES C=CCn1c(NNC(=S)Nc2ccc(cc2)OC)nc2c(c1=O)c1CCCCc1s2
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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 C21H23N5O2S2 MW 441.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O2S2/c1-3-12-26-19(27)17-15-6-4-5-7-16(15)30-18(17)23-20(26)24-25-21(29)22-13-8-10-14(28-2)11-9-13/h3,8-11H,1,4-7,12H2,2H3,(H,23,24)(H2,22,25,29)InChIKey
ZVFNFVJOVOOSHJ-UHFFFAOYSA-NSynonyms
1(4methoxyphenyl)3((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)amino)thiourea
COC1=CC=C(C=C1)NC(=S)NNC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C
InChI=1SC21H23N5O2S2c13122619(27)1715645716(15)3018(17)2320(26)242521(29)221381014(282)11913h3811H14712H22H3(H2324)(H2222529)
MFCD18200604
N(4methoxyphenyl)2(4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)hydrazinecarbothioamide
ZINC000057505500
ZINC57505500
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