Vitas-M small molecule compound
3-(butylsulfanyl)-5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Catalog ID
STK720318
SMILES CCCCSc1nnc2n1c(nc1c2c2CCCCc2s1)c1ccccc1
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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 C21H22N4S2 MW 394.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4S2/c1-2-3-13-26-21-24-23-19-17-15-11-7-8-12-16(15)27-20(17)22-18(25(19)21)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3InChIKey
GTWLBRXFCBSKPK-UHFFFAOYSA-NSynonyms
488088-17-13(butylsulfanyl)5phenyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidine
3(butylthio)5phenyl891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidine
488088171
CCCCSC1=NN=C2N1C(=NC3=C2C4=C(S3)CCCC4)C5=CC=CC=C5
InChI=1SC21H22N4S2c123132621242319171511781216(15)2720(17)2218(25(19)21)1495461014h46910H23781113H21H3
MFCD03287786
ZINC000002325193
ZINC02325193
ZINC2325193
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