Vitas-M small molecule compound
ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(3-methoxy-2-propoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK108687
SMILES CCCOc1c(OC)cccc1C1C(=C(N=c2n1c(=O)/c(=C/c1ccc3c(c1)OCO3)/s2)c1ccccc1)C(=O)OCC
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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 C33H30N2O7S MW 598.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O7S/c1-4-16-40-30-22(12-9-13-24(30)38-3)29-27(32(37)39-5-2)28(21-10-7-6-8-11-21)34-33-35(29)31(36)26(43-33)18-20-14-15-23-25(17-20)42-19-41-23/h6-15,17-18,29H,4-5,16,19H2,1-3H3/b26-18-InChIKey
BOEYYLPTYRMEAB-ITYLOYPMSA-NSynonyms
CCCOC1=C(C=CC=C1OC)C2C(=C(N=C3N2C(=O)C(=CC4=CC5=C(C=C4)OCO5)S3)C6=CC=CC=C6)C(=O)OCC
CCCOc1c(OC)cccc1C1C(=C(N=c2n1c(=O)c(=Cc1ccc3c(c1)OCO3)s2)c1ccccc1)C(=O)OCC
ETHYL(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)5(3METHOXY2PROPOXYPHENYL)3OXO7PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)5(3METHOXY2PROPOXYPHENYL)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC33H30N2O7Sc1416403022(1291324(30)383)2927(32(37)3952)28(21107681121)343335(29)31(36)26(4333)182014152325(1720)42194123h615171829H451619H213H3b2618
MFCD04083505
ZINC000002177423
ZINC000002177425
Check stock
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Check stock on Vitas-MAvailable files
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