Vitas-M small molecule compound
[(5-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Catalog ID
STL079720
SMILES OC(=O)CSc1nnc(n1c1ccccc1)CSc1nc(N)c2c(n1)sc1c2CCCC1
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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 C21H20N6O2S3 MW 484.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O2S3/c22-18-17-13-8-4-5-9-14(13)32-19(17)24-20(23-18)30-10-15-25-26-21(31-11-16(28)29)27(15)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,28,29)(H2,22,23,24)InChIKey
SPRISILOMIVCIR-UHFFFAOYSA-NSynonyms
438481-33-5((5(((4amino5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)methyl)4phenyl4H124triazol3yl)sulfanyl)aceticacid
2((5(((4amino5678tetrahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)methyl)4phenyl4H124triazol3yl)thio)aceticacid
2((5((4azaniumyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanylmethyl)4phenyl124triazol3yl)sulfanyl)acetate
C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCC4=NN=C(N4C5=CC=CC=C5)SCC(=O)(O))(NH3+)
InChI=1SC21H20N6O2S3c22181713845914(13)3219(17)2420(2318)301015252621(311116(28)29)27(15)126213712h1367H45811H2(H2829)(H2222324)
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