Vitas-M small molecule compound
[2,4-dioxo-1-(3-phenylpropyl)-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-3(2H)-yl]acetic acid
Catalog ID
STK607282
SMILES OC(=O)Cn1c(=O)n(CCCc2ccccc2)c2c(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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c24-17(25)13-23-19(26)18-15-10-4-5-11-16(15)28-20(18)22(21(23)27)12-6-9-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2,(H,24,25)InChIKey
PKYDAFXMYUIBOG-UHFFFAOYSA-NSynonyms
903198-30-1(24dioxo1(3phenylpropyl)145678hexahydro(1)benzothieno(23d)pyrimidin3(2H)yl)aceticacid
2(24dioxo1(3phenylpropyl)125678hexahydrobenzo(45)thieno(23d)pyrimidin3(4H)yl)aceticacid
2(24dioxo1(3phenylpropyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)aceticacid
903198301
C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CC(=O)O)CCCC4=CC=CC=C4
InChI=1SC21H22N2O4Sc2417(25)132319(26)181510451116(15)2820(18)22(21(23)27)1269147213814h1378H46913H2(H2425)
MFCD08291040
ZINC000006759739
ZINC6759739
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